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Description
This object is the BindingDB dataset as of April 1, 2024. The core data for a given binding measurement comprises the identity of the two molecules involved, usually a protein and a small organic molecule; a measured indicator of their affinity, such as a dissociation constant or IC50; and the identity of the document from which the measurement was curated. Proteins are identified primarily by UniProt ID and small organic molecules by SMILES strings. This BindingDB release contains about 2.6 million experimental binding data. BindingDB has been supported by the National Institute of General Medical Sciences (NIH grants R24GM14423 and R01GM070064), by NSF grant 9808318, and by the National Institute of Standards and Technology. Its contents are solely the responsibility of the authors and do not necessarily reflect the official views of the sponsors. ChemAxon and OpenEye also have supported BindingDB through their academic software licensing programs. Research Data Curation Program, UC San Diego, La Jolla, 92093-0175 (https://lib.ucsd.edu/rdcp) All data curated by BindingDB staff are provided under the Creative Commons Attribution 4.0 License. Data imported from ChEMBL are provided under their Creative Commons Attribution-Share Alike 3.0 Unported License. Gilson, Michael K.; Liu, Tiqing; Hwang, Linda (2024). BindingDB Dataset, April 1, 2024. In BindingDB: Measured Binding Data for Protein-Ligand and Other Molecular Systems. UC San Diego Library Digital Collections. https://doi.org/10.6075/J0KS6RRW
Type
text
Identifier
ark:/20775/bb1479731z
Language
English
Subject
Simplified Molecular Input Line Entry System (SMILES) Half maximal inhibitory concentration (IC50) Medicine Computational chemistry Medicinal chemistry Small molecule UniProt Ligand Protein Affinity Database Protein-protein Antibody Binding Host-guest Drug discovery Free energy Drug Dissociation constant (Kd) Machine learning Artificial intelligence
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