Kinase inhibitor data set for systematic analysis of representative kinases across the human kinome

A large set of multi-kinase inhibitors with high-confidence activity data was assembled and used to generate network representations revealing kinase relationships based upon shared inhibitors [1]. Compounds and activity annotations were originally selected from public repositories and organized in an in-house database from which the data set was extracted and curated. The new data set comprises more than 36,000 inhibitors with multiple activity annotations for a total of 420 human kinases (providing 81% coverage of the human kinome), representing a total of ∼127,000 kinase-inhibitor interactions. Use of the data is not limited to the network application reported in [1]. It can also be used, for example, for different types of compound promiscuity analysis or machine learning (such a multi-task modeling). In addition, the data set provides a large resource for complementing kinase drug discovery projects with external compound information.