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Text / BindingDB Dataset, April 1, 2024

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Title
BindingDB Dataset, April 1, 2024
Creator
Gilson, Michael K
Contributor
Hwang, Linda
Liu, Tiqing
Date Created and/or Issued
Date of data collection: 2000 to 2024. Date of version: 2024-04-01.
Contributing Institution
UC San Diego, Research Data Curation Program
Collection
BindingDB: Measured Binding Data for Protein-Ligand and Other Molecular Systems
Rights Information
Under copyright
Constraint(s) on Use: This work is protected by the U.S. Copyright Law (Title 17, U.S.C.). Use of this work beyond that allowed by "fair use" or any license applied to this work requires written permission of the copyright holder(s). Responsibility for obtaining permissions and any use and distribution of this work rests exclusively with the user and not the UC San Diego Library. Inquiries can be made to the UC San Diego Library program having custody of the work.
Use: This work is available from the UC San Diego Library. This digital copy of the work is intended to support research, teaching, and private study.
Rights Holder and Contact
UC Regents
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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