Programmatically get compounds in ChEMBL from related targets
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?
1 answer
Log in to answer this question.
More posts like this
-
Target prediction
written by Samprath •
-
downloading chemical database from ChEMBL
written by s •
-
Connectivity Map (CMap) Query tool: list of compounds with respective targets given a set of DEGs
written by appropiate •
-
The best way to download target-drug data in csv format from ChEMBL
written by little_more •
-
Retrieving biological knowledge for molecular property prediction
written by Lorenzo Fabbri •
-
How to get a list of all human protein targets and their target class? UniProt or ChEMBL?
written by Leanna •
-
ChemBL compounds list given 'n' number of ChemBL targets
written by bioraghu.iisc •
-
How to download ChEBI Ontology Classes
written by support •
-
Extract enzyme information for a list of compound names in KEGG
written by stephanie.alexandra.ross •
-
How To Functionally Classify Proteins?
written by Iain •
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.