chembl-database-bioactivity

What problem does it solve?

This Skill allows you to efficiently query the ChEMBL database for bioactive molecules, drug targets, and their associated bioactivity data, streamlining drug discovery and medicinal chemistry research.

Core Features & Use Cases

• Molecule Search: Find compounds by ID, name, or physicochemical properties.
• Target Information: Retrieve details about biological targets.
• Bioactivity Data: Query IC50, Ki, EC50 values and other measurements.
• Structure-Based Search: Perform similarity and substructure searches.
• Drug & Mechanism Data: Access information on approved drugs and their mechanisms.
• Use Case: Identify potential inhibitors for a specific protein target by searching for compounds with low IC50 values against it.

Quick Start

Use the chembl-database-bioactivity skill to find all compounds with an IC50 value less than 100 nM for the EGFR target (CHEMBL203).