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. 2019 Oct 21;9(58):33761–33774. doi: 10.1039/c9ra05661k

Observed and estimated anti-proliferative activity values for the tested piperidinecarboxamides 24–47 according to the BMLR-QSAR models.

Entry Compd HCT116 MCF7 A431
Observed IC50, μM Estimated IC50, μM Errora Observed IC50, μM Estimated IC50, μM Errora Observed IC50, μM Estimated IC50, μM Errora
1 24 1.08 1.17 −0.09 1.83 1.39 0.44 2.49 1.94 0.55
2 25 1.03 0.95 0.08 2.09 2.50 −0.41 2.51 2.21 0.30
3 26 1.43 1.39 0.04 2.48 2.50 −0.02 2.83 2.80 0.03
4 27 1.61 1.29 0.32 2.95 2.62 0.33 2.56 4.25 −1.69
5 28 1.31 1.60 −0.29 2.58 2.51 0.07 2.58 2.65 −0.07
6 29 0.70 0.72 −0.02 1.33 1.58 −0.25 1.29 1.08 0.21
7 30 0.58 0.60 −0.02 1.13 0.89 0.24 0.64 0.92 −0.28
8 31 1.03 0.88 0.15 1.44 1.54 −0.10 1.24 1.81 −0.57
9 32 1.04 0.91 0.13 2.35 2.12 0.23 1.31 1.39 −0.08
10 33 1.13 0.93 0.20 2.14 2.00 0.14 1.45 1.76 −0.31
11 34 0.56 0.59 −0.03 2.34 2.07 0.27 1.27 1.00 0.27
12 35 0.56 0.53 0.03 1.36 1.46 −0.10 1.20 1.07 0.13
13 36 0.62 0.69 −0.07 1.71 2.18 −0.47 1.31 0.98 0.33
14 37 0.57 0.63 −0.06 2.32 2.51 −0.19 1.18 1.03 0.15
15 38 0.56 0.56 0.00 2.16 2.53 −0.37 1.33 1.38 −0.05
16 39 1.44 1.36 0.08 3.96 4.46 −0.50 2.57 2.79 −0.22
17 40 2.73 2.87 −0.14 5.10 4.52 0.58 4.90 6.04 −1.14
18 41 2.26 3.71 −1.45 4.58 4.87 −0.29 2.64 3.32 −0.68
19 42 22.98 3.43 19.55 4.90 5.10 −0.20 8.75 6.78 1.97
20 43 1.23 1.29 −0.06 3.96 4.38 −0.42 2.72 3.09 −0.37
21 44 1.11 0.94 0.17 4.17 3.94 0.23 2.85 3.18 −0.33
22 45 1.38 1.55 −0.17 5.85 5.82 0.03 11.35 10.62 0.73
23 46 1.50 1.71 −0.21 5.73 5.13 0.60 8.83 5.63 3.20
24 47 1.29 1.72 −0.43 4.89 4.74 0.15 7.98 6.53 1.45
a

Error is the difference between the observed and estimated bio-activity values.