BindingDB Dataset, January 1, 2025. In BindingDB: Measured Binding Data for Protein-Ligand and Other Molecular Systems

This object is the BindingDB dataset as of January 1, 2025.

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 3.0 million experimental binding data.

本数据集为截至2025年1月1日的结合数据库（BindingDB）数据集。
单条结合测定的核心数据包含所涉两种分子的标识（通常为蛋白质与有机小分子）、二者亲和力的实测指标（如解离常数或IC50），以及该测定数据所来源的文献标识。蛋白质主要通过UniProt编号（UniProt ID）进行标识，有机小分子则通过简化分子线性输入规范（SMILES）字符串进行标识。
本次发布的结合数据库数据集包含约300万条实验结合测定数据。