BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB's positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

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Publication Details

Journal
Nucleic Acids Research
Published
2024-10-23
DOI
https://doi.org/10.1093/nar/gkae1075
Citations
122
Primary Topic
Scientific Computing and Data Management
Type
article
Field-Weighted Citation Impact
128.21

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article

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Carmen I. Nitsche, Linda Hwang, Christopher Southan, Michael K. Gilson et al.
122 citations
Nucleic Acids Research
Scientific Computing and Data Management
128.21
article

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Carmen I. Nitsche, Linda Hwang, Christopher Southan, Michael K. Gilson, Tiqing Liu, S.K. Burley, W. Patrick Walters
article en
122 citations

Abstract

BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB's positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

Nucleic Acids ResearchVol. 53(D1)
Rutgers, The State University of New Jersey (US), San Diego Supercomputer Center (US), University of California San Diego (US), Relay Therapeutics (United States) (US), University of Montana (US), University of Edinburgh (GB)
National Science Foundation, U.S. Department of Energy, National Institutes of Health, University of California, San Diego, National Cancer Institute, National Institute of General Medical Sciences, National Institute of Allergy and Infectious Diseases
Industry, innovation and infrastructure
Openalex Percentile: Top 0%
Scientific Computing and Data Management
128.21
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