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bindingdb-database

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Query BindingDB for measured drug-target binding affinities (Ki, Kd, IC50, EC50). Search by target (UniProt ID), compound (SMILES/name), or pathogen. Essential for drug discovery, lead optimization, polypharmacology analysis, and structure-activity relationship (SAR) studies.

When to use

• **Target-based drug discovery**: What known compounds bind to a target protein? What are their affinities?
• **SAR analysis**: How do structural modifications affect binding affinity for a series of analogs?
• **Lead compound profiling**: What targets does a compound bind (selectivity/polypharmacology)?
• **Benchmark datasets**: Obtain curated protein-ligand affinity data for ML model training
• **Repurposing analysis**: Does an approved drug bind to an unintended target?
• **Competitive analysis**: What is the best reported affinity for a target class?
• **Fragment screening**: Find validated binding data for fragments against a target

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