Skip to main content

Table 3 Beta blocker results

From: Predicting the protein targets for athletic performance-enhancing substances

Compound Target PR-Score E-Value
P2-Beta Blockers
Alprenolol (266195) Cavia Porceullus (369) 0.039 LogB/F = −0.158
Carvedilol (723) β-1 adrenergic receptor (3252) 0.032 Ki = 0.81 nM
  β-2 adrenergic receptor (210) 0.044 Ki = 0.166 nM
  β-2 adrenergic receptor (3754) 0.047 Prediction
  β-3 adrenergic receptor (4031) 0.036 Prediction
Pindolol (500) β-1 adrenergic receptor (3252) 0.017 Ki = 1 nM
  β-2 adrenergic receptor (210) 0.015 Ki = 0.4 nM
  β-2 adrenergic receptor (3754) 0.026 Inhibition = 84%
  β-3 adrenergic receptor (4031) 0.018 Ki = 1 nM
  Serotonin 1a (5-HT1a (214) 0.026 Ki = 24 nM
Propranolol (27) β-2 adrenergic receptor (210) 0.003 IC50 = 12 nM
Sotalol (471) β-3 adrenergic receptor (246) 0.009 IC50 = 7200 nM
  1. Experimental validation of the predictions for the most significant PR-Scores (≤0.05) for the Beta Blocker P2 WADA class. Where no experimental activity exists in ChEMBL, the compound-family association retains the status of ‘Prediction’.