title: PhIN: A Protein Pharmacology Interaction Network Database.
abstract: Network pharmacology is a new and hot concept in drug discovery for its ability to investigate the complexity of polypharmacology, and becomes more and more important in drug development. Here we report a protein pharmacology interaction network database (PhIN), aiming to assist multitarget drug discovery by providing comprehensive and flexible network pharmacology analysis. Overall, PhIN contains 1,126,060 target-target interaction pairs in terms of shared compounds and 3,428,020 pairs in terms of shared scaffolds, which involve 12,419,700 activity data, 9,414 targets, 314 viral targets, 652 pathways, 1,359,400 compounds, and 309,556 scaffolds. Using PhIN, users can obtain interacting target networks within or across human pathways, between human and virus, by defining the number of shared compounds or scaffolds under an activity cutoff. We expect PhIN to be a useful tool for multitarget drug development. PhIN is freely available at http://cadd.pharmacy.nankai.edu.cn/phin/.
authors.affiliation: State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University Tianjin, China.
authors.forename: Z
authors.initials: Z
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University Tianjin, China ; High-Throughput Molecular Drug Discovery Center, Tianjin Joint Academy of Biomedicine and Technology Tianjin, China.
authors.forename: J
authors.initials: J
authors.lastname: Li
authors.affiliation: State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University Tianjin, China.
authors.forename: R
authors.initials: R
authors.lastname: Dang
authors.affiliation: State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University Tianjin, China ; High-Throughput Molecular Drug Discovery Center, Tianjin Joint Academy of Biomedicine and Technology Tianjin, China.
authors.forename: L
authors.initials: L
authors.lastname: Liang
authors.affiliation: State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Nankai University Tianjin, China ; High-Throughput Molecular Drug Discovery Center, Tianjin Joint Academy of Biomedicine and Technology Tianjin, China.
authors.forename: J
authors.initials: J
authors.lastname: Lin