Table 2.
Compound | Ki (uM) | LE[a] | LiPE[b] |
---|---|---|---|
2 | 9.0 ± 2.0 | 0.53 | 5.3 |
4 | 2.5 ± 0.4 | 0.45 | 6.0 |
15 | 21 ± 5.0 | 0.46 | 4.4 |
18 | 12 ± 3.6 | 0.30 | 5.0 |
24 | 830 ± 75 | 0.20 | 1.9 |
26 | 13 ± 2.4 | 0.48 | 4.5 |
29 | 6.4 ± 3.5 | 0.34 | 6.6 |
Ligand efficiencies (LE) determined by converting Ki values to binding energies and dividing by the number of non-hydrogen atoms. Units = kcal/mol/atom.
Lipophilic efficiences (LiPE) determined by subtracting logP values from the log(Ki) for each compound.