Table 1. Thermodynamic Parameters and Dissociation Constants of hHint1–Ligand Complexes Determined Using ITC.
compd | Kd (μM) | ΔH (kcal mol–1) | –TΔS (kcal mol–1) | ΔG (kcal mol–1) |
---|---|---|---|---|
3a | 3.65 ± 1.00 | –13.54 ± 1.00 | 9.54 ± 4.17 | –4.1 ± 2.0 |
4 | 0.81 ± 0.11 | –16.51 ± 0.17 | 8.05 ± 0.88 | –8.46 ± 0.4 |
5 | 2.90 ± 0.25 | –13.59 ± 1.12 | 7.71 ± 0.27 | –5.81 ± 1.0 |
6 | 0.92 ± 0.07 | –14.75 ± 0.12 | 6.57 ± 0.17 | –8.24 ± 0.12 |
7 | 0.23 ± 0.01 | –17.31 ± 0.05 | 8.19 ± 0.13 | –9.13 ± 0.11 |
GMPb | 67 ± 7.9 |