Table 1.
αGIs | R1 | R2 | IC50 (µM) | pIC50 | Predicted | Residual |
---|---|---|---|---|---|---|
αGI1 | H | 26.7 | 4.57 | 4.46 | 0.11 | |
αGI2 | H | 39.8 | 4.40 | 4.33 | 0.07 | |
αGI3 | H | 96.9 | 4.01 | 4.02 | −0.01 | |
αGI4 | H | 20.1 | 4.69 | 4.65 | 0.04 | |
αGI5 * | H | 100 | 4.00 | 3.83 | 0.17 | |
αGI6 | H | 100 | 4.00 | 3.88 | 0.12 | |
αGI7 | H | 100 | 4.00 | 4.07 | −0.07 | |
αGI8 | H | 100 | 4.00 | 3.89 | 0.11 | |
αGI9 | OH | 60.8 | 4.21 | 4.11 | 0.10 | |
αGI10 | H | 45.7 | 4.34 | 4.35 | −0.01 | |
αGI11 | OH | 96.7 | 4.01 | 4.15 | −0.14 | |
αGI12 | OH | 100 | 4.00 | 4.09 | −0.09 | |
αGI13 | OH | 95.4 | 4.02 | 4.02 | 0.00 | |
αGI14 | OH | 86.3 | 4.06 | 4.01 | 0.05 | |
αGI15 | H | 30.8 | 4.51 | 4.29 | 0.22 | |
αGI16 * | OH | 25.2 | 4.59 | 4.90 | −0.31 | |
α G Is | R | IC50 (µM) | pIC50 | Predicted | Residual | |
αGI17 | 29.14 | 4.53 | 4.99 | −0.46 | ||
αGI18 | 7.58 | 5.12 | 4.85 | 0.27 | ||
αGI19 | 1.1 | 5.95 | 5.60 | 0.35 | ||
αGI20 | 4.26 | 5.37 | 4.99 | 0.38 | ||
αGI21 * | 3.15 | 5.50 | 5.01 | 0.49 | ||
αGI22 | 6.1 | 5.21 | 5.00 | 0.21 | ||
αGI23 | 4.58 | 5.33 | 5.35 | −0.02 | ||
αGI24 | 16.1 | 4.79 | 4.95 | −0.16 | ||
αGI25 * | 36.46 | 4.43 | 4.01 | 0.42 | ||
αGI26 | 24.14 | 4.61 | 4.87 | −0.26 | ||
αGI27 | 29.14 | 4.53 | 4.71 | −0.18 | ||
αGI28 | 4.58 | 5.33 | 5.08 | 0.25 | ||
αGI29 | 16.1 | 4.79 | 4.70 | 0.09 | ||
αGI30 | 6.46 | 5.18 | 5.06 | 0.12 | ||
αGI31 | 34.14 | 4.46 | 4.64 | −0.18 | ||
αGI32 * | 11.14 | 4.95 | 5.09 | −0.14 | ||
αGI33 | 10.58 | 4.97 | 4.87 | 0.10 | ||
α G Is 34–38 | ||||||
αGI34 | 133.57 | 3.87 | 3.72 | 0.15 | ||
αGI35 * | 500 | 3.30 | 3.40 | −0.10 | ||
αGI36 | 500 | 3.30 | 3.68 | −0.38 | ||
αGI37 | 68.46 | 4.16 | 3.93 | 0.23 | ||
αGI38 | 61.86 | 4.20 | 4.00 | 0.20 |
* Test Set Compounds.