Promiscuity cliffs (PCs), promiscuity cliff pathways (PCPs), and promiscuity hubs (PHs) formed by inhibitors of human kinases

The PC, PCP, and PH data structures have been introduced for the analysis of compound promiscuity [1-3]. A comprehensive collection of PCs, PCPs, and PHs formed by kinase inhibitors covering more than 80% of the human kinome is made available. See readme.txt for more information regarding the provided files.

References:

Dimova, D.; Gilberg, E.; Bajorath, J. Identification and Analysis of Promiscuity Cliffs Formed by Bioactive Compounds and Experimental Implications. RSC Adv. 2017, 7, 58–66.

Miljković, F.; Bajorath, J. Computational Analysis of Kinase Inhibitors Identifies Promiscuity Cliffs across the Human Kinome. ACS Omega 2018, 3, 17295–17308.

Miljković, F; Vogt, M; Bajorath, J. Systematic Computational Identification of Promiscuity Cliff Pathways Formed by Inhibitors of the Human Kinome. J. Comput. Aided Mol. Des. 2019, in press, doi: doi.org/10.1007/s10822-019-00198-9