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. 2016 Feb 18;6:20872. doi: 10.1038/srep20872

Table 1. Theoretically estimated −log10Kd of four reference molecules and their experimental IC50 (μM) for six enzymes.

Enzymes Physostigmine Indinavir Epalrestat Celecoxib
−log10Kd IC50a −log10Kd IC50a −log10Kd IC50a −log10Kd IC50a
AChE 7.319 0.04133            
HiV-1 PR     7.699 0.02334        
HiV-2 PR     7.523 0.04134        
ALR1         4.975 12.535    
ALR2         5.745 1.435    
COX-2             7.222 0.0436

aExperimentally determined IC50.