Table 1.
Compound | ΔGbind (Calc.) | Inhibition % at 10 μMa | IC50 (μM) |
---|---|---|---|
3 | −42.93 (±1.21) | 83% | 3.5 |
4 | −31.14 (±0.98) | 83% | 4.6 |
5 | −46.32 (±1.10) | 45% | - |
6 | −46.02 (±1.11) | 20% | - |
7 | −45.00 (±0.89) | 38% | - |
8 | −42.17 (±1.30)) | 15% | - |
9 | −40.34 (±1.14) | 26% | - |
10 | −37.32 (±0.97) | 28% | - |
11 | −36.98 (±1.11) | 43% | - |
12 | −36.06 (±1.13) | 31% | - |
13 | −34.33 (±1.10) | 34% | - |
14 | −32.28 (±1.00) | 50% | - |
15 | −32.27 (±1.21) | 40% | - |
16 | −31.12 (±1.13) | 41% | - |
17 | −29.15 (±1.24) | 39% | - |
18 | −28.97 (±1.27) | 10% | - |
19 | −28.60 (±0.98) | 12% | - |
20 | −28.28 (±1.28) | 36% | - |
21 | −27.84 (±1.21) | 45% | - |
22 | −25.94 (±1.13) | 16% | - |
23 | −19.35 (±1.15) | 39% | - |
The inhibition was based on the measured decrease in the concentration of the produced reaction product.