Table 1 Values of IC50, KD, LE and LLE for compound 1 and derivatives (5a, 5d and 6a–d)
From: In-silico guided chemical exploration of KDM4A fragments hits
Compound ID | Compound structure | IC50 (μM) | KD (μM) | LE | LLE |
|---|---|---|---|---|---|
1 |
| 7.1 ± 1.4 | 15.00 ± 0.16 | 0.51 | 4.59 |
5a |
| N.D Inhibition at 50uM < 50% | N.D | ||
5d |
| N.D Inhibition at 50uM < 50% | 55.0 ± 2.0 | 0.24 | 1.88 |
6a |
| N.D Inhibition at 50uM < 50% | 45.0 ± 1.0 | 0.33 | 2.49 |
6b |
| 25.0 ± 1.9 | 9.50 ± 0.08 | 0.39 | 4.50 |
6c |
| 41.6 ± 1.7 | 10.7 ± 0.2 | 0.48 | 4.18 |
6d |
| N.D Inhibition at 50uM < 50% | > 50 | N.D | N.D |
