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. 2022 Apr 12;7(16):14057–14068. doi: 10.1021/acsomega.2c00173

Table 1. Compound Data Sets.

ChEMBL ID target code #Highly potent CPDsa
CHEMBL204 thrombin Thr. 514
CHEMBL1862 tyrosine kinase ABL1 ABL1 515
CHEMBL237 κ-opioid receptor Kop. 1425
CHEMBL2498 PI3-kinase p110-α subunit PI3 812
CHEMBL5701 G protein-coupled receptor 44 GPCR44 686
CHEMBL1795139 transmembrane protease serine 6 TPS6 21
a

Highly potent CPDs: compounds exhibiting pKi values greater than or equal to 6.0 except for TPS6 (5.0).