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Description
This object is the BindingDB dataset as of January 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, January 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/J0BP02ZT
Type
text
Identifier
ark:/20775/bb73840168
Language
English
Subject
Task: Classification Task: Dimensionality reduction Algorithm: Supervised learning Host-guest Half maximal inhibitory concentration (IC50) Drug Machine learning Simplified Molecular Input Line Entry System (SMILES) Task: Clustering Algorithm: Semi-supervised learning Dissociation constant (Kd) UniProt Task: Regression Protein-protein Small molecule Antibody Medicinal chemistry Database Affinity Artificial intelligence Task: Multiclass classification Drug discovery Ligand Protein Binding Free energy Task: Feature extraction Medicine Algorithm: Unsupervised learning Computational chemistry
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