skills.rest
Hung-3008
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bindingdb-database

Extract BindingDB affinity data by UniProt ID, compound name, or SMILES.

1|Updated Mar 4, 2026
Search Tags:#drug-discovery#affinity#sar#bindingdb#kd#ki#ic50
One-click install
npx skills add https://github.com/Hung-3008/agusta --skill bindingdb-database-hung-3008
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: bindingdb-database
Source: https://github.com/Hung-3008/agusta/tree/main/.agents/skills/bindingdb-database
Command: npx skills add https://github.com/Hung-3008/agusta --skill bindingdb-database-hung-3008

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

This Skill enables researchers to access and extract quantitative drug–target binding data from BindingDB, supporting target-based research, SAR exploration, and lead optimization.

Core Features & Use Cases

  • REST API queries by UniProt ID to fetch ligands and affinities.
  • Search by compound name or SMILES to retrieve binding data.
  • Data download guidance and ML-ready formatting for large analyses.
  • SAR analysis and polypharmacology profiling (cross-target data).

Quick Start

Query BindingDB for Ki values for UniProt ID P00519 and export the top 20 results.

Frequently Asked Questions about bindingdb-database

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I retrieve BindingDB affinity data for a specific drug target using a UniProt ID?▼

Retrieve BindingDB affinity data by querying the REST API with a UniProt ID like P00519 to extract associated ligands and their quantitative binding values for target-centric research.

Can I search BindingDB by compound name or SMILES to find binding affinities?▼

Search BindingDB by providing a compound name or SMILES string to retrieve corresponding drug-target binding affinities, supporting polypharmacology profiling and cross-target selectivity analysis.

What is the best way to download BindingDB datasets for ML-ready SAR analysis?▼

Download BindingDB datasets for ML-ready SAR analysis by following the provided data download guidance, formatting extracted affinities like Ki, IC50, and Kd for large-scale machine learning applications.

Does BindingDB support cross-target selectivity profiling across human proteins?▼

BindingDB supports cross-target selectivity profiling across human proteins by extracting and comparing quantitative binding affinities for specified compounds against multiple identified targets.

What binding affinity metrics can I extract for lead prioritization workflows?▼

Extract Kd, Ki, and IC50 binding affinity metrics from BindingDB to support lead prioritization workflows, enabling quantitative evaluation of drug-target interactions.

How do I format BindingDB REST API query results for large-scale analysis?▼

Format BindingDB REST API query results into ML-ready datasets for large-scale analysis by applying the provided data download guidance to structure extracted ligand and affinity data efficiently.

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