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. 2016 Jun 15;7(8):780–784. doi: 10.1021/acsmedchemlett.6b00169

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      
a

Data adapted from previously published result by Garzon et al.2

b

Data shown from the NMR titrations previously reported by Shapiro and co-workers.22