Frodo: first draft to capture info

2015-02-23T17:24:37Z

first draft to capture info

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=question =
I am trying to find which PubChem BioAssay corresponds to CHEMBL1614364.

https://www.ebi.ac.uk/chembl/assay/inspect/CHEMBL1614364

I couldn't figure it out. When I typed the name of the project into
pubchem bioassay, about 6 AIDs came up, but none of them appeared to
correspond to CHEMBL1614364.

I am just confused. Can you help me understand how to figure out where
in PubChem BioAssay the CHEMBL1614364 data come from?

= answer =
This has come directly from PubChem.

One of the compounds from this assay is:

https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL2007021

and if you click on the PubChem link at the bottom of the page and then scroll down the PubChem page, you will see the assay it relates to.

Also, if you search for "qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ", you will get four AIDs that relate to this. We then take a selection of this data, as per this blog post:

http://chembl.blogspot.co.uk/2011/09/integration-of-filtered-set-of-pubchem.html

An example of how to find this data:

Go to:
https://www.ebi.ac.uk/chembl/assay/inspect/CHEMBL1614364

click on the grey box to the lower right hand side of 'Compound Summaries' and choose 'Display All Records'.

Then in the list of compounds, you can choose one, for example:

https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1332607

and then scroll to the bottom and click on one of the PubChem links:

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=26719829

In this page, you can scroll to the 'Biological test Results' and you will see the data in there

I hope that this helps, but let me know if it did not.

PubChem in ChEMBL - Revision history

Frodo: first draft to capture info