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chembl / chembl_data_issues

Public issue tracker for submitting bugs/questions/feature requests to ChEMBL team.
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Erroneous data on CHEMBL4103942 #6

Open Evert-Homan opened 1 year ago

Evert-Homan commented 1 year ago

CHEMBL4103942 aka H2S has reported EC50 of 0.12 nM against the oxytocin receptor. To me this seems to be highly unlikely and needs to be verified in the cited literature.

Best wishes/Evert

scorbett-ebi commented 8 months ago

The activity is correct, but I believe it has been mapped to the wrong compound.

Relevant assay and activity data:

Screenshot 2023-11-03 at 09 02 41

Table of results from the paper showing the correct activity:

Screenshot 2023-11-03 at 08 52 53

Screenshot of the ChEMBL interface showing the small molecule associated with this activity:

Screenshot 2023-11-03 at 08 53 29

Text describing the modified oxytocin (OT) compounds used in the experiment:

Screenshot 2023-11-03 at 09 05 44 Screenshot 2023-11-03 at 09 08 26 Screenshot 2023-11-03 at 09 12 34