Selectivity Profiling Of Multi-Kinase Inhibitors Across The Human Kinome From Chembl
Filip Miljković, Jürgen Bajorath
Abstract
Filip Miljković, Jürgen Bajorath
Abstract
Reported is the list of 596 protein kinase pairs, consisting of 141 kinases and selectivity profiles of 10,060 multi-kinase inhibitors found in ChEMBL23 high-confidence data. For each of the reported protein kinase pairs, UniProt IDs defining the kinase forming a pair is provided, as well as the shared inhibitors and their selectivity profiles. For each target within the pair, potency value for each compound is reported as pIC50 value, as well as the absolute potency difference used to assess the selectivity profiles.
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Reported is the list of 596 protein kinase pairs, consisting of 141 kinases and selectivity profiles of 10,060 multi-kinase inhibitors found in ChEMBL23 high-confidence data. For each of the reported protein kinase pairs, UniProt IDs defining the kinase forming a pair is provided, as well as the shared inhibitors and their selectivity profiles. For each target within the pair, potency value for each compound is reported as pIC50 value, as well as the absolute potency difference used to assess the selectivity profiles.
Key concepts: Kinome, chEMBL, Profiling (computer programming), Computational biology, Kinase, Chemistry, Computer science, Drug discovery