ChEMBL-NTD User Guide
Compound Activity Search Example
1. Click on 'Compound Activity Search' link found in ChEMBL-NTD site menu.
2. You will be presented with list of available assays compounds have been tested in:
3. (Optional) Use the slider bars to adjust minimum and maximum values for each assay:
4. (Optional) Check 'Available Commercially ' to return compounds available in ChEMBL database.
5. Press 'Start Search' button to return compounds which match your search criteria:
7. The results page has the following key features:
8. If the search has returned no results or too many results return to the Compound Activity Search page and adjust your search criteria, (previous search criteia will be saved).
Compound Structure Search Example
1. Click on 'Compound Structure Search' link found in ChEMBL-NTD site menu.
2. You will be presented with the following search box:
3. Click on 'Draw Compound Structure' link to open compound drawing window:
4. When you have finished sketching the compound click 'Transfer Compound' button to transfer compound to search box:
5. (Optional) The default compound structure search type is substructure. The search type can be changed to similarity (Tanimoto based search), using the drop down menu. If the search type is changed to similarity, the similarity cut-off value can also be changed.
6. (Optional) All compound sources are searched against by default. You can restrict the compound source to GSK, COMMERCIAL or Parent by using the drop-down menu. (Parent refers to salt-stripped set of compounds).
7. Press 'Start Search' button to return compounds which match your search criteria:
8. The results page has the following key features:
Compound Activity/Structure Search Results Column Explanations