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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