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. 2018 May 16;3(5):5281–5290. doi: 10.1021/acsomega.8b00223

Table 3. Comparison of the Calculated Dissociation Constant and Experimentally Obtained Inhibitory Concentrationsa.

compound Kd (calc.)b IC (exp.)c
RU-301 12 μM 10 μM [22]
warfarin 139 μM  
R428 18 nM 14 nM (IC50) [29]
compound 2′ 0.24 nM  
a

The dissociation constants Kd for RU-301, warfarin, R428 and the designed compound 2′ have been calculated from ΔG values.72

b

Kd (calc.)—calculated dissociation constant.

c

IC and IC50—inhibitory concentration and half maximal inhibitory concentration, respectively, taken from experimental data.