Add to Project
Click the Save button and then select Add to Project to add the result to a new or existing project.
Download Detail
Download substance details as a .pdf, properties as an .xlsx, structure image as a .png file, and structure as a .cxf, .mol, or .sdf file. Note: PDF downloads include search task history.
Expand/Collapse Categories
Expand all or collapse all categories.
Save Detail
Click the Save button and then select Save Result to save the substance detail.
Share Detail
Click the Save button and then select Share Result to share the detail via email.
View Claimed Patents
Click a patent title to view its reference detail page; click View All Patents to view all patent reference results in which the substance is claimed.
View Expanded Property
Click a key physical property to view additional data.
Note: These same properties may be downloaded as an Excel file.
Experimental Properties
Predicted Properties
View Pharmacological Data
Click the heading to view pharmacological data such as assay details and a knowledge graph.
View Assay Detail
Click View Detail in the Assay column to view popup with additional data and a link to the source reference.
View Knowledge Graph
Clicking the Knowledge Graph button opens the graph in a new tab.
The Knowledge Graph consists of nodes and edges:
- Nodes (Circles): Represent the ligands, targets, and diseases contained in the pharmacological data.
- Edges (Lines): Represent the connections between the nodes.
Navigating
Mousing over a node displays its connections to the displayed information types.
Clicking a ligand node displays a popup containing a structure image and an link (CAS Registry Number) to its substance detail page.
To move the graph, click a blank area and move the cursor.
To move a node, click it and move the cursor.
You may use your mouse's scroll wheel or the minus/plus buttons at the bottom of the graph to zoom in and out.
Filtering
Knowledge Graph filters operate the same as filters for a substance result set but are limited to the data contained in the graph. At the top of the Knowledge Graph, there is the key with color-coded information types. Toggling each type will display/hide it the graph.
Enter a term in the search box and click the magnifying glass to find matching information types.
Download Data
Click the Download icon to view and save the following pharmacological data in an .xls file.
- Ligand RN
- Ligand InChI
- Target Name
- Assay Name
- Function
- Parameter
- Value
- Condition
- Ligand Dose
- Disease
- Biological System
- Source
View Related Substance Data
Click the References, Reactions, or Suppliers buttons to retrieve data related to the substance.
View Spectra
Click a category's expand arrow to view additional substance information such as spectra.
View Substance Information
Click the structure image to open the substance window, which contains options to view details and related reactions and references, generate retrosynthesis plan, view suppliers, and edit/download the structure file.