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. Author manuscript; available in PMC: 2019 Apr 12.
Published in final edited form as: J Med Chem. 2018 Mar 26;61(7):2680–2693. doi: 10.1021/acs.jmedchem.7b01277

Table 2. Optimization of the Leu pocket.

Values for the TR-FRET, solubility, and permeability experiments are represented as means plus or minus standard deviation calculated from at least one experiment, run in triplicate. ND indicates values were not determined.

graphic file with name nihms955652u4.jpg
No R1 IC50 (μM) (TR-FRET) Avg. Sol (μM) Pampa (×10−6 cm/s) No R1 IC50 (μM) (TR-FRET) Avg. Sol (μM) Pampa (×10−6 cm/s)
35 graphic file with name nihms955652t23.jpg 10 ± 1.2 61 ± 3.1 1600 ±170 41 graphic file with name nihms955652t24.jpg 0.75 ± 0.26 69 ± 1.4 >2200
36 graphic file with name nihms955652t25.jpg 1.4 ±0.23 70 ± 2.3 >2200 42 graphic file with name nihms955652t26.jpg 0.82 ± 0.36 39 ± 2.9 1800 ± 1
37 graphic file with name nihms955652t27.jpg 5.8 ± 1.3 96 ± 9.7 1900±200 43 graphic file with name nihms955652t28.jpg 1.3 ±0.25 <0.1 1300 ±79
38 graphic file with name nihms955652t29.jpg 2.7 ± 0.29 61 ± 3.7 1500 ±5.4 44 graphic file with name nihms955652t30.jpg 4.2 ±0.38 85 ± 2.7 700 ± 73
39 graphic file with name nihms955652t31.jpg 21 ±3.8 64 ± 7.6 1600 ± 1 45 graphic file with name nihms955652t32.jpg > 1.1 ±0.12 66 ± 4.2 >2200
40 graphic file with name nihms955652t33.jpg 2.4 ±2.4 90 ± 12 >2200 46 graphic file with name nihms955652t34.jpg 1.0 ±0.53 37 ± 2.4 >2200