Ligand Pharmacology

The Pharmacology tab displays a:

• Data visualization:
  • Bar graph of measurement counts for targets
  • Line graph of consensus pActivity values for targets
• Data table:
  • Ligand (CAS RN)
  • Target
  • Gene
  • Parameter
  • pValue
  • Value
  • Function
  • Assay
  • Source

For a video walkthrough, see How to navigate pharmacology data in CAS BioFinder.

Download Pharmacology

Click the Download download detailed data as an Excel .xlsx file. 

If available for each ligand result, the detailed download contains:

• Ligand CAS RN
• Ligand Smiles
• Ligand InChl
• Target
• Gene
• Parameter
• pValue
• Value
• Function
• Assay Name
• Assay Type
• Procedure
• Ligand Dose
• Disease
• Biological System
• Source (reference document)

Sort Data

You may apply ascending/descending sorting orders to each column in the ligand data table. In the example below, pValue is sorted in descending order.

To apply a sort order, click a column's up/down arrow. Sorting is applied and numbered in order of application. 

When a sort order is first applied, it is ascending. Click the up arrow to change it to descending.

To remove a sort order, click its down arrow. Remaining sorts are renumbered. Note: Applied sorts and their ascending/descending order are retained and applied to subsequent data tables.

View Related Data

Click a ligand result's CAS Registry number to open the ligand window, where you can open the structure in CAS Draw, view the ligand detail, and view related data in CAS SciFinder.

Open Structure in CAS Draw

Click the Edit Structure button to open the structure in CAS Draw, where you edit the structure and start a new ligands or scaffolds search.

View in CAS SciFinder

Clicking the following options will open the relevant data from CAS SciFinder in a new tab:

• Get Reactions: Reaction results for the CAS Registry Number.
  
  
  
  
• Synthesize: Reaction results for the query "synthesis of [CAS Registry Number]"
• Get Retrosynthesis: Opens the Retrosynthesis Plan Options page.
  
  
• Get References: Reference results that have indexed the CAS Registry Number (appears in the results' Substances section).
• Get Suppliers: Supplier results for vendors offering the CAS Registry Number substance.

View Ligand Detail

Click the CAS Registry Number or Get Ligand Details to view the ligand detail page.

View Assay Data

Click a View link in the Assay column to view assay data, including associated diseases/ligands/targets, for a ligand and its target in a popup window.

View in CAS SciFinder

Click a Source link in the data table or Assay Data window to view the detail page for the source reference in CAS SciFinder.

View Target/Disease Information

Click a Target link in the data table or Assay Data window to view the target's associated ligands, associated diseases, and other names/identifiers.

Click a Disease link in the Assay Data window to view the disease's associated ligands, targets, and other names/identifiers.

View Ligand Detail

Click the ligand's CAS Registry Number in the Assay Data window to view the ligand detail page.