Table 4. Ki Values and Docking Scores and of Bis-AQ Derivatives.
compd | Ki (μM) | docking scorea |
---|---|---|
64 | 0.300 ± 0.065 | –14.481 |
65 | 0.389 ± 0.059 | –13.809 |
66 | 0.285 ± 0.056 | –12.932 |
67 | 0.103 ± 0.024 | –16.471 |
68 | 0.300 ± 0.059 | –13.224 |
A lower score indicates better binding of a given ligand in the substrate cleft.