Table 1. HDAC inhibition IC50 and Ki for the five LOPAC hit compounds.
The IC50 values lower than 100 μM were determined from at least two independent titrations (Supporting Information). The IC50 values were converted to Ki using Cheng-Prusoff equation assuming classical inhibitory mechanism.
| Ebselen | NSC-95397 | U-73122 | GNTI | Aurothioglucose | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| IC50 | Ki | IC50 | Ki | IC50 | Ki | IC50 | Ki | IC50 | Ki | |
| HDAC1 | 1.5 ± 0.4 | 0.15 | >180 | N/A | 38.4 ± 15.5 | 4.11 | 30.2 ± 7.3 | 3.24 | 4.4 ± 1.1 | 0.47 |
| HDAC2 | 1.4 ± 0.3 | 0.08 | >100 | N/A | >100 | N/A | 26.2 ± 7.6 | 1.48 | >180 | N/A |
| HDAC3 | 2.1 ± 1.5 | 0.23 | >100 | N/A | 6.2 ± 4.0 | 0.66 | 22.7 ± 3.1 | 2.43 | 11.5 ± 3.2 | 1.23 |
| HDAC4 | 1.2 ± 0.2 | 0.20 | 7.2 ± 2.8 | 1.23 | 31.2 ± 0.2 | 5.33 | 13.4 ± 1.6 | 2.29 | 4.1 ± 2.1 | 0.7 |
| HDAC5 | 0.78 ± 0.1 | 0.42 | 3.1 ± 0.2 | 1.68 | 10.5 ± 7.4 | 5.68 | 0.70 ± 0.1 | 0.38 | 0.72 ± 0.5 | 0.39 |
| HDAC6 | 12.8 ± 2.6 | 3.10 | 12.7 ± 2.5 | 3.07 | 45.2 ± 12.6 | 10.96 | >180 | N/A | 14.4 ± 5.8 | 3.49 |
| HDAC7 | 10.9 ± 2.2 | 3.09 | 13.1 ± 4.3 | 3.72 | >180 | N/A | 18.9 ± 1.0 | 5.36 | 22.4 ± 4.4 | 6.35 |
| HDAC8 | 0.35 ± 0.2 | 0.11 | 1.3 ± 0.1 | 1.03 | 10.9 ± 3.1 | 8.63 | 2.0 ± 0.4 | 1.58 | 1.4 ± 0.3 | 1.11 |
| HDAC9 | 0.97 ± 0.5 | 0.20 | 4.8 ± 1.4 | 2.04 | 29.8 ± 5.6 | 12.67 | 12.3 ± 1.7 | 5.23 | 2.8 ± 0.1 | 1.19 |
| HDAC10 | 0.95 ± 0.4 | 0.42 | 14.5 ± 1.5 | 6.40 | >100 | N/A | >180 | N/A | 4.9 ± 1.5 | 2.16 |
| HDAC11 | 22.5 ± 2.4 | 4.41 | 37.8 ± 1.4 | 7.41 | >180 | N/A | >180 | N/A | >180 | N/A |