High quality, small molecule-activity datasets for kinase research
| Autor: | Rajan Sharma, Stephan C. Schürer, Steven M. Muskal |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
0301 basic medicine
Open science Computer science media_common.quotation_subject Computational biology Biology Data Note General Biochemistry Genetics and Molecular Biology 03 medical and health sciences 0302 clinical medicine Structure–activity relationship Quality (business) Kinase activity Biomacromolecule-Ligand Interactions General Pharmacology Toxicology and Pharmaceutics Drug Discovery & Design 030304 developmental biology media_common 0303 health sciences General Immunology and Microbiology Drug discovery Kinase Macromolecular Chemistry Articles Kinase SAR Bioactivity Database Dataset Drug Discovery Bioactive Molecules Kinase Knowledgebase KKB General Medicine chEMBL Small molecule 3. Good health Open data 030104 developmental biology 030220 oncology & carcinogenesis Neuroscience |
| Zdroj: | F1000Research |
| ISSN: | 2046-1402 |
| Popis: | Kinases regulate cell growth, movement, and death. Deregulated kinase activity is a frequent cause of disease. The therapeutic potential of kinase inhibitors has led to large amounts of published structure activity relationship (SAR) data. Bioactivity databases such as the Kinase Knowledgebase (KKB), WOMBAT, GOSTAR, and ChEMBL provide researchers with quantitative data characterizing the activity of compounds across many biological assays. The KKB, for example, contains over 1.8M kinase structure-activity data points reported in peer-reviewed journals and patents. In the spirit of fostering methods development and validation worldwide, we have extracted and have made available from the KKB 258K structure activity data points and 76K associated unique chemical structures across eight kinase targets. These data are freely available for download within this data note. |
| Databáze: | OpenAIRE |
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