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 |
The dissociation constants Kd for RU-301, warfarin, R428 and the designed compound 2′ have been calculated from ΔG values.72
Kd (calc.)—calculated dissociation constant.
IC and IC50—inhibitory concentration and half maximal inhibitory concentration, respectively, taken from experimental data.