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Table 2 Protein target data sets used in this study

From: QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

Target preferred name Target abbreviation Uniprot ID ChEMBL ID Number of bioactivity data points
Alpha-2a adrenergic receptor A2a P08913 CHEMBL1867 203
Tyrosine-protein kinase ABL ABL1 P00519 CHEMBL1862 773
Acetylcholinesterase Acetylcholinesterase P22303 CHEMBL220 3159
Androgen Receptor Androgen P10275 CHEMBL1871 1290
Serine/threonine-protein kinase Aurora-A Aurora-A O14965 CHEMBL4722 2125
Serine/threonine-protein kinase B-raf B-raf P15056 CHEMBL5145 1730
Cannabinoid CB1 receptor Cannabinoid P21554 CHEMBL218 1116
Carbonic anhydrase II Carbonic P00918 CHEMBL205 603
Caspase-3 Caspase P42574 CHEMBL2334 1606
Thrombin Coagulation P00734 CHEMBL204 1700
Cyclooxygenase-1 COX-1 P23219 CHEMBL221 1343
Cyclooxygenase-2 COX-2 P35354 CHEMBL230 2855
Dihydrofolate reductase Dihydrofolate P00374 CHEMBL202 584
Dopamine D2 receptor Dopamine P14416 CHEMBL217 479
Norepinephrine transporter Ephrin P23975 CHEMBL222 1740
Epidermal growth factor receptor erbB1 erbB1 P00533 CHEMBL203 4868
Estrogen receptor alpha Estrogen P03372 CHEMBL206 1705
Glucocorticoid receptor Glucocorticoid P04150 CHEMBL2034 1447
Glycogen synthase kinase-3 beta Glycogen P49841 CHEMBL262 1757
HERG HERG Q12809 CHEMBL240 5207
Tyrosine-protein kinase JAK2 JAK2 O60674 CHEMBL2971 2655
Tyrosine-protein kinase LCK LCK P06239 CHEMBL258 1352
Monoamine oxidase A Monoamine P21397 CHEMBL1951 1379
Mu opioid receptor Opioid P35372 CHEMBL233 840
Vanilloid receptor Vanilloid Q8NER1 CHEMBL4794 1923