anne123
anne123
I was trying to send some information on the ChEMBL metabolism web services to someone and they aren't working. David has shown me how to do this via elastic search...
Searched for 5-HT4 and selected human target then displayed bioactivities page. Says there are 29 max_phase 4 compounds etc. I think there are just 4 (Max_phase 4) for this target...
https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL490/ In this I've just noticed that in the alternative form section you see 4 structures but when you go to the next page one of them is repeated (CHEMBL1200609)....
Not all the exact match links in UniChem are appearing on compound report card under the UniChem Cross References Section e.g. https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL706/ It seems to be the more recent ones...
There seem to be a number of issues with this: The searches seem case sensitive in a number of cases: e.g. lamotrigine vs LAMOTRIGINE in this instance lowercase works but...
If you view the drugs in a card view each compound has a list of properties shown if you hover over the structure. However it says no data for all...
When you download from assays everything is downloaded not just the ones you have selected. I wanted to select a few specific assays but it just downloaded all the assays....
This is just to remind us that the links in wikipedia need to be updated to those on the new interface e.g. https://en.wikipedia.org/wiki/Sildenafil. needs to point to the new version...
For example https://www.ebi.ac.uk/chembl/beta/g/#similarity_search_results/NC(%3DO)C1N%3DCN(N%3D1)C1OC(CO)C(O)C1O/85 (substructure search seems fine)
I can select a number of compounds from the plot but there is no option to do anything with the selection as far as I can see. Ideally it should...