bindingdb-database

What problem does it solve?

This Skill provides access to BindingDB, a comprehensive resource for measured drug-target binding affinities, enabling researchers to quickly find and analyze interactions crucial for drug discovery and development.

Core Features & Use Cases

• Query by Target: Find ligands that bind to a specific protein target using its UniProt ID.
• Query by Compound: Search for binding data associated with a particular compound using its name or SMILES string.
• Data Download & Analysis: Facilitates downloading and processing of the entire BindingDB dataset for large-scale analyses like SAR and polypharmacology profiling.
• Use Case: A medicinal chemist needs to identify known inhibitors for a novel kinase target. They can use this Skill to query BindingDB by the target's UniProt ID and retrieve a list of compounds with their measured Ki or IC50 values.

Quick Start

Use the bindingdb-database skill to find all ligands with a Ki less than 100 nM for the UniProt target P00519.