ChEMBL errata

This is a page to keep track of errata we've found with the ChEMBL database at [1]

• 4. https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL389012 

Annotated as an Antagonist in ChEMBL, but abstract claims it is an agonist

• 5. CHEMBL293146 is 0 nM for O42392 according to assay CHEMBL818834

In fact, it is 10^-12 M in the paper (or seems to me to be so. 10^-12 is small, but it is not the same as zero.

There are hundreds of these. examples. I will email them to you

• 6. Compound CHEMBL1288160 is annotated at -4000 nM for O96013

and Compound CHEMBL1095696 is annotated at -14 nM for P25099

There are hundreds of a couple of dozen of "negative IC50" values, below:

accession molecule std units std value doc_id src_id

P14416	CHEMBL163087	nM	-0.46	=	15817	1
P13612	CHEMBL330006	nM	-0.5	=	5334	1
P13612	CHEMBL330006	nM	-0.5	=	5334	1
P05556	CHEMBL330006	nM	-0.5	=	5334	1
P05556	CHEMBL330006	nM	-0.5	=	5334	1
P14416	CHEMBL162762	nM	-0.51	=	15817	1
P20288	CHEMBL162762	nM	-0.55	=	15817	1
P14416	CHEMBL162762	nM	-0.55	=	15817	1
P14416	CHEMBL163087	nM	-0.63	=	15817	1
P20288	CHEMBL163087	nM	-0.65	=	15817	1
P13612	CHEMBL432215	nM	-0.65	=	5334	1
P13612	CHEMBL432215	nM	-0.65	=	5334	1
P05556	CHEMBL432215	nM	-0.65	=	5334	1
P05556	CHEMBL432215	nM	-0.65	=	5334	1
P35462	CHEMBL162762	nM	-0.69	=	15817	1
P21917	CHEMBL162762	nM	-0.69	=	15817	1
P35462	CHEMBL163087	nM	-0.74	=	15817	1
P21917	CHEMBL163087	nM	-0.76	=	15817	1
P25099	CHEMBL1088398	nM	-1	=	51024	1
P12931	CHEMBL451544	nM	-1.9e+05	=	16451	1
P12931	CHEMBL80333	nM	-1.92e+05	=	16451	1
P25099	CHEMBL1087078	nM	-3	=	51024	1
P35610	CHEMBL351272	nM	-7.3e+04	<	2018	1
P30543	CHEMBL1095696	nM	-8	=	51024	1
P30543	CHEMBL1087078	nM	-10	=	51024	1
P25099	CHEMBL1087079	nM	-10	=	51024	1

There are dozens more, maybe hundreds.

• 7. There are four target IDs in ChEMBL that have a NULL description. That would seem to be wrong, but there could be some purpose to doing this. e.g. "we have to come back to this later..."

The TIDs are : 22226, 22222, 22224, 22228