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Table 2 Cyclooxygenase inhibition dataset ("Results and discussion" section, case study 2)

From: Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

UniProt ID Isoenzyme Organism Number of datapoints
P23219 1 Homo sapiens 1,346
O62664 1 Box taurus 48
P22437 1 Mus musculus 50
O97554 1 Oryctolagus cuniculus 11
P05979 1 Ovis aries 442
Q63921 1 Rattus norvegicus 23
P35354 2 Homo sapiens 2,311
O62698 2 Bos taurus 21
Q05769 2 Mus musculus 305
P79208 2 Ovis aries 341
P35355 2 Rattus norvegicus 39
  1. We extracted the bioactivity data for 11 mammalian cyclooxygenases from ChEMBL 16 [2]. The final bioactivity selection comprised 3,228 distinct compounds.