Table 1 Optimization of the chloroquinoline fragment
From: Development of Nurr1 agonists from amodiaquine by scaffold hopping and fragment growing
ID | structure | EC50(Nurr1) (max. activation)a | Kd (Nurr1 LBD)b |
|---|---|---|---|
3 |
| 17 ± 6 µM (1.7 ± 0.1-fold) | n.d. |
5 |
| inactive (100 µM) | n.d. |
6 |
| unstable | n.d. |
7 |
| inactive (100 µM) | n.d. |
8 |
| 7 ± 1 µM (2.0 ± 0.1-fold) | 2.7 µM |
9 |
| inactive (100 µM) | weak binding |
10 |
| inactive (100 µM) | weak binding |
11 |
| inactive (100 µM) | 7.2 µM |
12 |
| < 1.2-fold activation | 5.1 µM |
13 |
| inactive (100 µM) | weak binding |
