Oncology Knowledgebase (OKB)
The Oncology Knowledgebase (OKB) is Eidogen-Sertanty's database of structure-activity data across numerous targets of oncological interest. Nicely complementing the Kinase Knowledgebase (KKB), the OKB will cover a broad spectrum of targets relevant to Colon cancer, Esophageal cancer, Glioma, Head and Neck cancer, Kidney cancer, Leukemia, Liver cancer, Lung cancer, Lymphoma, Melanoma, Ovarian cancer, Prostate cancer, Skin cancer, and Stomach cancer.
The OKB is a ligand/structure-activity (SAR) database containing enzymatic and cell-based data aiming to cover several gene families noted in the oncological literature, including Epigenetic targets, orphan nuclear receptors, and transcription factors, G protein-coupled receptors (GPCRs), Matrix Metalloproteinases (MMPs), Proteasomes, Farnesyltransferases, Aromatases, and Phosphodiesterases. The initial releases of the OKB will focus on "hot targets" (e.g. acyl and methyl transferases: HDACs, HATs, HMKT, etc.) with some level of crystallographic precedence so that clients can further leverage information found in our TIP platform.
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Content & Curation
Currently the Oncology Knowledgebase Q4 2016 Release includes the following data:
- Journal articles and patents: 837
- Number of Biological Activity Data Points: >114,824
- Number of molecules from patents and articles: >53,879
- Number of unique oncology targets with assay data: 1,051
- Number of annotated assay protocols: 4,588
- Number of disease models: 99
For a more comprehensive list of all SAR data points for each target, please contact us.
Computational scientists will find Eidogen-Sertanty's knowledgebase to be an exceptional source for high quality training sets to build predictive QSAR models. All SAR data undergoes rigorous quality control. Every data point is associated with detailed bio assay protocols and is classified by:
- Standardized gene name
- Binding mode
- Assay type
- Additional in vitro data, e.g. cellular potency/cell line
- Efficacy data in appropriate animal models
We select the most relevant data such as in vitro enzyme activity data - in particular IC50 values - for the development of QSAR models (ePotency and eSelectivity), and cell-based activity and toxicity data for the development of advanced activity models (eADME and eTox).
The Oncology Knowledgebase is designed such that it can be used by every scientist in the drug discovery team, even those without special training in the computational sciences. The OKB can either be accessed through ChemAxon's desktop Instant JChem (IJC) software or purchased for integration into in-house databases.
To find out more about licensing terms and arrange a product demonstration, please contact us.