Ligand Pharmacology

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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

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

CAS Drug Intelligence

Results with the CAS Drug Intelligence icon BF-DrugIntelligence-Icon.png have information on approved, investigational, or discontinued drugs with a new visual identification and overviews of regulatory status, clinical phase, indications, and targets.

Download Pharmacology

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

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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)

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View Related Data

Click a ligand's name 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.

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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.

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View in CAS SciFinder

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

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  • Get Reactions: Reaction results for the CAS Registry Number.

    BF-LigandWindow-ReactionsFromSciFinder.png

  • Synthesize: Reaction results for the query "synthesis of [CAS Registry Number]"
  • Get Retrosynthesis: Opens the Retrosynthesis Plan Options page.

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  • 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.

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View Assay Detail

Click a View link in the Assay column to view assay details, including disease detail and ligand detail.

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View Disease Detail

Click a Disease link in the Assay Detail window to view the disease's detail page.

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View Ligand Detail

Click the CAS Registry Number to view the ligand detail page.

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View in CAS SciFinder

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

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View Protein Detail

Click a Target link in the data table or Assay Detail window to view the target's protein detail.

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