Programmatically get compounds in ChEMBL from related targets
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11 months ago
doh ▴ 10

I have a list of ChEMBL targets e.g. CHEMBL1075192, CHEMBL1250361, CHEMBL1293247, CHEMBL1293285, CHEMBL1293302 - and I would like to download all their associated compounds. I know that I can enter these here as queries and search "all targets" and then view their "target" table individually, and then from there access their related "compound" table, but I actually have ~100 targets for which I would like to get their related compounds and so I am looking for a way to do this programmatically. Any advice or tips?

chembl api • 452 views
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have you tried using biomaRt in R? more on this package and examples - https://bioconductor.statistik.tu-dortmund.de/packages/3.3/bioc/vignettes/biomaRt/inst/doc/biomaRt.pdf.

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11 months ago
doh ▴ 10

For anyone else trying to link targets and compounds at ChEMBL I figured out how by reading through this page

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