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Table 1 Activity classes

From: Activity landscape image analysis using convolutional neural networks

ChEMBL target IDTarget nameNo. compoundsPotency [pKi]IQR (Q1–Q3)
MinMax
CHEMBL204Coagulation factor II10991.0012.195.30–7.47
CHEMBL205Carbonic anhydrase 227010.6011.106.24–8.04
CHEMBL214Serotonin receptor 1A19360.3610.856.74–8.29
CHEMBL217Dopamine D2 receptor34272.8510.576.29–7.49
CHEMBL218Cannabinoid receptor 119383.7910.105.95–7.62
CHEMBL219Dopamine D4 receptor10864.7410.526.43–7.87
CHEMBL222Sodium-dependent noradrenaline transporter10002.269.525.86–7.54
CHEMBL224Serotonin receptor 2A19673.5111.006.56–8.12
CHEMBL225Serotonin receptor 2C10853.519.706.23–7.70
CHEMBL226Adenosine receptor A128294.1212.235.87–7.14
CHEMBL229Alpha-1A adrenergic receptor5944.0410.446.90–8.40
CHEMBL233Mu-type opioid receptor20094.2011.806.37–8.33
CHEMBL234Dopamine D3 receptor25184.1710.006.79–8.40
CHEMBL236Delta-type opioid receptor16043.7210.686.00–8.08
CHEMBL237Kappa-type opioid receptor18534.0911.526.45–8.49
CHEMBL238Sodium-dependent dopamine transporter8502.149.405.60–7.37
CHEMBL240Potassium voltage-gated channel subfamily H_210533.899.555.29–6.44
CHEMBL245Muscarinic acetylcholine receptor M36094.1110.306.70–9.10
CHEMBL251Adenosine receptor A2a33053.9211.386.05–7.67
CHEMBL253Cannabinoid receptor 226050.6310.726.24–7.99
CHEMBL255Adenosine receptor A2b12653.379.806.30–7.82
CHEMBL256Adenosine receptor A325671.3211.006.16–7.84
CHEMBL261Carbonic anhydrase 126570.5611.005.34–7.09
CHEMBL264Histamine H3 receptor23234.0710.607.21–8.70
CHEMBL344Melanin-concentrating hormone receptor 111873.579.776.90–8.01
CHEMBL1800Corticotropin-releasing factor receptor 16734.269.666.58–8.14
CHEMBL18335-hydroxytryptamine receptor 2B6955.009.966.13–7.40
CHEMBL2014Nociceptin receptor8394.4010.707.09–8.52
CHEMBL31555-hydroxytryptamine receptor 711113.3010.006.53–7.95
CHEMBL3242Carbonic anhydrase 1220083.089.626.92–8.23
CHEMBL33715-hydroxytryptamine receptor 621341.3810.407.03–8.52
CHEMBL3594Carbonic anhydrase 923471.349.926.61–8.04
CHEMBL3759Histamine H4 receptor8872.8510.405.98–7.59
CHEMBL4005Serine/threonine protein kinase PIK3CA8824.6510.527.01–8.46
CHEMBL4550Arachidonate 5-lipoxygenase-activating protein13185.609.406.75–8.21
CHEMBL4792Orexin receptor type 214444.9610.156.13–7.57
CHEMBL5071Prostaglandin D2 receptor 27944.4810.006.49–8.41
CHEMBL5113Orexin receptor type 112494.199.805.47–7.19
  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