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