Figure 3.

The distribution of the predicted (docking score) and experimental activity values retrieved from the ChEMBL database. The number of compounds is denoted by n and a color code was applied for each isozyme. The unit for docking scores is $\text{kcal}/\text{mol}$, and $-{\text{log}}_{10}\text{(nM)}$ for pIC$_{50}^{}$ and pKi.