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Related Concept Videos

The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:

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Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
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Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

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PubChem's BioAssay Database.

Yanli Wang1, Jewen Xiao, Tugba O Suzek

  • 1National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA. ywang@ncbi.nlm.nih.gov

Nucleic Acids Research
|December 6, 2011
PubMed
Summary
This summary is machine-generated.

PubChem provides free access to biological activity data for small molecules and RNAi reagents. This update details growth in assay data, target information, and enhanced tools for data submission and analysis.

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Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
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Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Area of Science:

  • Biochemistry
  • Molecular Biology
  • Pharmacology

Background:

  • PubChem is a public repository for biological activity data.
  • It offers free access to data on small molecules and RNAi reagents.
  • The platform aims to provide intuitive data analysis tools.

Purpose of the Study:

  • To provide an update on the PubChem BioAssay resource.
  • To highlight growth in information content and data model extensions.
  • To detail new developments in data submission, retrieval, analysis, and download tools.

Main Methods:

  • Data aggregation and integration within the NCBI Entrez system.
  • Development of deposition systems for various depositor needs.
  • Enhancement of web-based and programmatic tools for data analysis.

Main Results:

  • PubChem BioAssay database contains 500,000 assay protocols, 5000 protein targets, and 30,000 gene targets.
  • Over 130 million bioactivity outcomes are available.
  • Data is searchable and accessible via Entrez queries.

Conclusions:

  • PubChem continues to expand its comprehensive bioactivity data.
  • The platform offers robust tools for researchers to analyze and utilize biological test results.
  • Ongoing development ensures PubChem remains a valuable resource for the scientific community.