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ChemBioBaseTM

Jubilant's ChemBioBaseTM is a comprehensive set of target centric ligand databases. Each of these databases contains small molecules that exhibit activity against targets in a particular family. The ChemBioBaseTM products integrate assay data and target information with chemical structure data collected from published patents and articles, and are provided to users in a user-friendly format.

Currently available databases are:

  • Kinase ChemBioBaseTM - Over 319,000 small molecules against kinase targets

  • GPCR ChemBioBaseTM - Over 400,000 small molecules comprising agonists, antagonists and other ligands against  GPCR targets

  • Nuclear Hormone Receptor ChemBioBaseTM - Over 150,000 agonists, antagonists and other small molecules against nuclear hormone receptors

  • Ion Channel ChemBioBaseTM- Over 100,000 small molecules against ion channels

  • Protease ChemBioBaseTM - Over 400,000 ligands for proteases

  • Phosphodiesterase ChemBioBaseTM - Small molecules that bind to phosphodiesterase targets.

Jubilant's ChemBioBaseTM suite allows effective mining of the chemistry space for ligands against specific targets of interest in some of the following ways: 

  • SAR points allow building of QSAR training sets

  • Develop pharmacophore models

  • Prioritize synthesis

  • Explore the patent space to discover opportunities for new drugs Our databases are invaluable tools in considerably speeding up the hit-to-lead process.

Technical specifications:

The databases are available in multiple formats like ISIS/BASE (Flat/ Hierarchical), ISIS/HOST, Oracle, SD file, RD file, XML.

Key Features:

The ChemBioBaseTM products integrate textual data on assays and bioactivity with chemical structure data in a user-friendly format. Some of the key parameters are:

  • Mechanism of action

  • 2D Chemical Structure

  • Molecular Weight

  • Molecular formula

  • Bioassay

  • Bioactivity (SAR points)

  • Nomenclature

  • PDB ID of Target/Target ligand Complex

  • Bibliographic Reference

  • Equivalent patent information

Versatile searches can be performed using various combinations of text and structure fields.
 

 
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