chembl / chembl_webservices_2

Source code of the ChEMBL web services.
https://www.ebi.ac.uk/chembl/ws
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Abstraction problem for CHEMBL4128926 #185

Open sandey2k opened 2 years ago

sandey2k commented 2 years ago

Hi there, looking at this compound it seems the bioactivities are wrongly associated: https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL4128926/

in the associated paper supplemental material there are CEREP results in % inhibition and the potencies of reference compounds in IC50s: all the IC50s have been associated with compound CHEMBL4128926, which is a mistake leading compound 1j to be active against all the CEREP target panel.

image

there seems to be a similar problem with the Kinase activities too, could someone have a look at it? Thanks