ChEMBL is probably the foremost manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs. This script enables you to search ChEMBL directly from StarDrop, returning the data pre-formatted and ready to use for tasks such as:

• Identifying potential off-target activities for your compounds
• Understanding SAR around your compounds or targets
• Building QSAR models to make predictions for new compounds

The installer file and instructions for how to install and use the script are provided in the following pages…

Please note that any compound structures and target information used in a query will be passed to the ChEMBL servers. These data will be sent using a secure connection (i.e. encrypted and transmitted via HTTPS) and you can view the ChEMBL Data Protection Policy.

Version

Please note: These scripts are compatible with StarDrop 7.3, or more recent versions, for either Windows® or Mac®. To find out which version you have installed, start StarDrop and select the Help->About menu. If you are using an older version of StarDrop please contact [email protected] and we will be happy to provide download details.

Installation

Windows

To install this script on Windows:

• Ensure that you have saved your work and close StarDrop
• For 64-bit Windows, download the file StarDrop Script – ChEMBLWebServices (64-bit).exe
• When the download is complete, double-click the file to run it and follow the instructions (we recommend that you accept the default options provided)
• Restart StarDrop

macOS

To install this script on macOS:

• Ensure that you have saved your work and close StarDrop
• Download the file StarDrop Script – ChEMBL (OSX).zip
• In your user area, navigate to the StarDrop folder (~/StarDrop/py3)
• Extract the contents of the zip file into this folder overwriting any existing files
• Restart StarDrop

For StarDrop 7.2 or earlier please use the following files:
On Windows – Download the file StarDrop Script – ChEMBL (64-bit)2.exe
On macOS or Windows – Download the file StarDrop Script – ChEMBL (OSX)2.zip

To use this script…

Download documentation on using this script for more details.