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Table 1 Activity classes

From: Activity landscape image analysis using convolutional neural networks

ChEMBL target ID

Target name

No. compounds

Potency [pKi]

IQR (Q1–Q3)

Min

Max

CHEMBL204

Coagulation factor II

1099

1.00

12.19

5.30–7.47

CHEMBL205

Carbonic anhydrase 2

2701

0.60

11.10

6.24–8.04

CHEMBL214

Serotonin receptor 1A

1936

0.36

10.85

6.74–8.29

CHEMBL217

Dopamine D2 receptor

3427

2.85

10.57

6.29–7.49

CHEMBL218

Cannabinoid receptor 1

1938

3.79

10.10

5.95–7.62

CHEMBL219

Dopamine D4 receptor

1086

4.74

10.52

6.43–7.87

CHEMBL222

Sodium-dependent noradrenaline transporter

1000

2.26

9.52

5.86–7.54

CHEMBL224

Serotonin receptor 2A

1967

3.51

11.00

6.56–8.12

CHEMBL225

Serotonin receptor 2C

1085

3.51

9.70

6.23–7.70

CHEMBL226

Adenosine receptor A1

2829

4.12

12.23

5.87–7.14

CHEMBL229

Alpha-1A adrenergic receptor

594

4.04

10.44

6.90–8.40

CHEMBL233

Mu-type opioid receptor

2009

4.20

11.80

6.37–8.33

CHEMBL234

Dopamine D3 receptor

2518

4.17

10.00

6.79–8.40

CHEMBL236

Delta-type opioid receptor

1604

3.72

10.68

6.00–8.08

CHEMBL237

Kappa-type opioid receptor

1853

4.09

11.52

6.45–8.49

CHEMBL238

Sodium-dependent dopamine transporter

850

2.14

9.40

5.60–7.37

CHEMBL240

Potassium voltage-gated channel subfamily H_2

1053

3.89

9.55

5.29–6.44

CHEMBL245

Muscarinic acetylcholine receptor M3

609

4.11

10.30

6.70–9.10

CHEMBL251

Adenosine receptor A2a

3305

3.92

11.38

6.05–7.67

CHEMBL253

Cannabinoid receptor 2

2605

0.63

10.72

6.24–7.99

CHEMBL255

Adenosine receptor A2b

1265

3.37

9.80

6.30–7.82

CHEMBL256

Adenosine receptor A3

2567

1.32

11.00

6.16–7.84

CHEMBL261

Carbonic anhydrase 1

2657

0.56

11.00

5.34–7.09

CHEMBL264

Histamine H3 receptor

2323

4.07

10.60

7.21–8.70

CHEMBL344

Melanin-concentrating hormone receptor 1

1187

3.57

9.77

6.90–8.01

CHEMBL1800

Corticotropin-releasing factor receptor 1

673

4.26

9.66

6.58–8.14

CHEMBL1833

5-hydroxytryptamine receptor 2B

695

5.00

9.96

6.13–7.40

CHEMBL2014

Nociceptin receptor

839

4.40

10.70

7.09–8.52

CHEMBL3155

5-hydroxytryptamine receptor 7

1111

3.30

10.00

6.53–7.95

CHEMBL3242

Carbonic anhydrase 12

2008

3.08

9.62

6.92–8.23

CHEMBL3371

5-hydroxytryptamine receptor 6

2134

1.38

10.40

7.03–8.52

CHEMBL3594

Carbonic anhydrase 9

2347

1.34

9.92

6.61–8.04

CHEMBL3759

Histamine H4 receptor

887

2.85

10.40

5.98–7.59

CHEMBL4005

Serine/threonine protein kinase PIK3CA

882

4.65

10.52

7.01–8.46

CHEMBL4550

Arachidonate 5-lipoxygenase-activating protein

1318

5.60

9.40

6.75–8.21

CHEMBL4792

Orexin receptor type 2

1444

4.96

10.15

6.13–7.57

CHEMBL5071

Prostaglandin D2 receptor 2

794

4.48

10.00

6.49–8.41

CHEMBL5113

Orexin receptor type 1

1249

4.19

9.80

5.47–7.19

  1. The table summarizes the composition of 38 activity classes used for 3D AL modeling. IQR represents the interquartile range of the potency value distribution of each data set