Table 1.
HDAC inhibitory activity of compounds 1–6, Trichostatin A (TSA) and suberoylanilide hydroxamic acid (SAHA) and calculated ΔGbind and the corresponding Ki.
| Compd. | Inhibition at 10 μM (%) a | Inhibition at 500 μM (%) a | IC50 ±SD b (μM) | Calcd ΔGbind c | Calcd Ki (μM) |
|---|---|---|---|---|---|
| 1a | — | 86 | 7.1 ± 0.5 | −7.96 | 1.45 |
| 1b | 6 | 30 | >500 | −6.04 | 37.19 |
| 2 | 51 | 88 | 6.3 ± 0.3 | −8.08 | 1.19 |
| 3 | 74 | 88 | 1.6 ± 0.2 | −8.79 | 0.36 |
| 4 | 13 | 71 | 155.2 ± 2.8 | −6.40 | 20.25 |
| 5 | — | 15 | >500 | −5.53 | 87.99 |
| 6 | 29 | 87 | 46.5 ± 1.5 | −7.27 | 4.69 |
| TSA d | — | — | 3.4 ± 0.2 | −11.13 | 0.007 |
| SAHA d | — | — | — | −10.03 | 0.044 |
a Standard deviations (SD) for the percent inhibition (mean of 3 independent measurements) were always <10%. b SD values. c kcal/mol. d Experimental Ki = 45 and 480 nM for TSA and SAHA, respectively [19].