Binding Affinities of 50 Type II Kinase Inhibitors Across 348 Kinases

A 107.6 KB dataset from figshare, last updated April 2026, containing binding affinity measurements for 50 type II kinase inhibitors across 348 kinases. The data combines results from two studies, the 'Davis' and 'Schrödinger' data sets, and was authored by Vardan H. Vardanyan to investigate the role of protein conformational reorganization in kinase selectivity.

Use Cases

• Benchmarking sequence-based binding affinity prediction models based on the comparison with DeepDTAGen mentioned in the description
• Analyzing the contribution of protein conformational reorganization to inhibitor selectivity based on the Potts model analysis
• Training or validating statistical energy models for kinase-inhibitor interactions based on the described binding affinity data
• Studying the selectivity profiles of type II inhibitors that bind to the inactive kinase conformation

Strengths

• Binding affinities measured for 50 distinct type II inhibitors, providing a focused chemical space
• Coverage across 348 kinases, offering a broad biological target scope
• Data combines results from two named experimental studies (Davis and Schrödinger data sets)

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• The 107.6 KB file size suggests a limited scope of data, likely summary results rather than raw measurements

Provenance

Source

figshare

Collection Method

Experimental binding affinity measurements combined from two prior studies.

Time Range

The dataset itself was published/updated in 2026; the temporal coverage of the underlying experiments is not specified.

Freshness

Last updated 2026-04-09 11:03:28; freshness should be verified

Geography

null