Table 1. IC50 Values and Ligand Efficiencies for Compounds A1, A2, B1, C2, D1, and F3 for Selected Protein Kinases.
compound | kinase | IC50 [μM]a | LE [kcal/mol heavy atom] |
---|---|---|---|
A1 | CK2 | 18 | 0.33 |
MAPKAP-K3 | 21 | 0.33 | |
RSK2 | 196 | 0.26 | |
Src | 97 | 0.28 | |
SRPK1 | 114 | 0.28 | |
A2 | Aurora A | 188 | 0.26 |
CDK2 | 26 | 0.33 | |
CK2 | 131 | 0.27 | |
CLK2 | 25 | 0.32 | |
FGF-R1 | 252 | 0.25 | |
GCK | 4 | 0.38 | |
IGF-1R | 47 | 0.30 | |
TAK1 | 24 | 0.32 | |
B1 | CHK2 | 17 | 0.42 |
GCK | 6 | 0.46 | |
HER4 | 20 | 0.41 | |
IGF-1R | 25 | 0.40 | |
Src | 20 | 0.41 | |
TAK1 | 11 | 0.43 | |
VEG-FR | 39 | 0.39 | |
YES1 | 21 | 0.41 | |
C2 | GSK-3β | 25 | 0.32 |
SGK1 | 110 | 0.28 | |
D1 | EPH-B3 | 158 | 0.33 |
FGF-R1 | 469 | 0.29 | |
F3 | PIM1 | 22 | 0.38 |
PIM3 | 14 | 0.40 |
Hill slopes range from 0.7 to 1.3.