search

jump-cellpainting / JUMP-Target

Lists and 384-well plate maps of compounds and genetic perturbations designed to assess connectivity in profiling assays
MIT License
17 stars 5 forks source link

Update compound identifiers #12

Open shntnu opened 3 years ago

shntnu commented 3 years ago

@niranjchandrasekaran said

I was recently made aware that with the compound identifiers that are currently available for the Target and MOA sets, it was difficult to uniquely identify the compounds (especially to distinguish between isomers). I am going to inquire with Broad's compound management teams to see if they have other identifiers like (CAS numbers) for these compounds. I don't have a time frame for when I will have the additional identifiers but I am hoping to make them available sometime next month.

niranjchandrasekaran commented 3 years ago

CDoT informed me that CAS numbers have never been provided for the repurposing hub compounds. Charles Perry from CDoT suggested the following

The compound can be searched by its BRD and from the compound card shown below with all the compound information, strcuture and more external sources. You can also click view samples:

image

Which will bring the below card up with the exact vendor and catalog number if the source of the compound is desired to look at its information there.

image (1)

niranjchandrasekaran commented 3 years ago

Thus getting additional identifiers will be a manual process.

shntnu commented 3 years ago

Thanks for documenting

The compound can be searched by its BRD

What website should one go to?

niranjchandrasekaran commented 3 years ago

Repurposing hub data app - https://clue.io/repurposing-app