chembl_webservices_2
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chembl
Source code of the ChEMBL web services.
After processing to Chembl Standardization functions, a double bond inside a 5-membered ring (which can only be cis) is converted to crossed (unknown cis/trans) type double bond - two examples...
I am trying to download information about all compounds that I consider to be active against Plasmodium species (i.e. inhibition IC50 of less than 1μM). I seem to be mostly...
Today the request that I was using for some time started returning 500: ``` curl https://www.ebi.ac.uk/chembl/api/data/target?limit=1000&target_components__accession=O15217 ``` Error: ``` argument of AND must be type boolean, not type smallint LINE...
I recently discovered an issue where indication data shown in the UI does not align with the Chembl data downloadable at https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/ or via web services. Specifically the issue is...
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...
Think you have a bonus methyl group in Sodium deoxycholate: https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL514674/ compared with PubChem and Merck: https://pubchem.ncbi.nlm.nih.gov/substance/24894044 https://www.sigmaaldrich.com/catalog/product/sial/d6750?lang=en®ion=GB The methyl group is also not there in methyl deoxycholate and Deoxycholic...
Hi, Just been trying to use the service, but seeing an internal server error? Any chance of getting it up and running again? kind regards, Sigve
Hi Juan, I'm checking what fields are available through the API for withdrawn drugs and those with black box warnings: 1. The drugs API doesn't appear to have a withdrawn_flag...
I am trying to do a similarity search using POST, but I am getting the error: ```xml b'{"smiles": "CN1C(=O)C=C(c2cccc(Cl)c2)c3cc(ccc13)[C@@](N)(c4ccc(Cl)cc4)c5cncn5C", "similarity": 80}' is not serialised using json format ``` You can...
Copied from https://github.com/chembl/GLaDOS/issues/1185 I'm using similarity search via the REST API and having issues when combining a similarity search with order_by. Based on the SMILES similarity search example under the...