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. Author manuscript; available in PMC: 2015 Feb 1.
Published in final edited form as: Pharm Res. 2013 Oct 17;31(2):414–435. doi: 10.1007/s11095-013-1172-7

Table 7.

Compounds that were active and with selectivity index (SI) > 10 across all three cell lines along with dual-event Bayesian Model predictions (bold text = predicted active)

Molecule Structure H37Rv IC90 (μg/ml) H37Rv IC90 (μM) SI Vero SI HepG2 SI THP-1 MLSM R dose response and cytotoxicity Bayesian score CB2 dose response and cytotoxicity Bayesian score TAACF Kinase dose response and cytotoxicity Bayesian score
AB00077575 graphic file with name nihms532480t21.jpg 0.58 1.54 68.85 34.42 65.63 27.55 −12.19 −9.52
AB00110214 graphic file with name nihms532480t22.jpg 0.32 1.07 126.05 63.09 113.31 −16.67 4.61 −9.40
AB00143367 graphic file with name nihms532480t23.jpg 1.77 4.14 22.62 11.31 22.62 6.18 −1.20 1.96
AB00145154 graphic file with name nihms532480t24.jpg 1.65 3.99 24.29 12.14 24.29 42.50 4.87 8.47
AB00285526 graphic file with name nihms532480t25.jpg 0.37 0.85 41.41 54.20 80.80 6.72 −3.88 8.86
AB00297140 graphic file with name nihms532480t26.jpg 1.46 3.85 27.46 13.73 11.83 28.99 6.43 6.64
AB00305092 graphic file with name nihms532480t27.jpg 0.58 1.35 15.11 34.78 45.34 7.08 −0.63 9.07
AB00310530 graphic file with name nihms532480t28.jpg 0.86 2.33 46.51 23.26 46.51 3.47 −1.17 2.53
AB00315662 graphic file with name nihms532480t29.jpg 0.87 2.07 18.51 22.94 40.09 11.92 1.96 13.48
AB00316014 graphic file with name nihms532480t30.jpg 0.20 0.60 27.02 102.56 35.83 −5.19 −5.51 −6.85
AB00370800 graphic file with name nihms532480t31.jpg 1.41 3.40 28.47 14.23 28.47 −10.68 −1.36 −17.21
AB00372473 graphic file with name nihms532480t32.jpg 1.36 3.42 15.13 10.24 29.33 −12.32 2.59 −18.66
AB00434956 graphic file with name nihms532480t33.jpg 1.40 3.46 28.59 14.30 28.59 36.74 1.97 3.17
AB00952522 graphic file with name nihms532480t34.jpg 1.66 4.01 13.36 11.43 14.07 25.22 3.18 23.26
AB00952642 graphic file with name nihms532480t35.jpg 0.20 0.63 20.69 22.86 15.64 −5.25 3.54 −2.56
AB00952825 graphic file with name nihms532480t36.jpg 0.56 1.47 70.96 35.46 70.92 22.70 4.06 16.70
AB00952828 graphic file with name nihms532480t37.jpg 0.91 2.34 11.45 11.07 31.47 24.98 5.21 15.53
AB00952834 graphic file with name nihms532480t38.jpg 0.93 2.52 13.37 21.55 34.55 29.02 5.43 17.76
AB00952835 graphic file with name nihms532480t39.jpg 1.18 2.73 33.82 16.91 33.81 22.72 3.01 16.36
AB00952911 graphic file with name nihms532480t40.jpg 1.88 5.52 21.27 10.64 21.28 24.79 0.21 18.01
AB00953015 graphic file with name nihms532480t41.jpg 1.73 4.24 23.14 11.57 23.14 35.05 −9.14 −10.05
AB00953018 graphic file with name nihms532480t42.jpg 1.10 2.55 36.53 18.26 25.26 −10.48 1.89 −10.40
AB00953098 graphic file with name nihms532480t43.jpg 1.62 3.90 24.77 12.38 24.77 10.87 0.55 6.15
AB00953127 graphic file with name nihms532480t44.jpg 1.77 4.90 22.62 11.31 19.12 24.04 −0.62 13.46
AB00953133 graphic file with name nihms532480t45.jpg 1.03 3.53 38.70 19.34 21.89 33.48 3.39 9.90
AB00953146 graphic file with name nihms532480t46.jpg 1.48 4.80 27.11 13.55 13.65 35.82 4.27 12.49
AB00953181 graphic file with name nihms532480t47.jpg 1.06 2.83 18.98 16.95 15.10 16.80 5.69 8.26
AB00953202 graphic file with name nihms532480t48.jpg 1.90 5.54 21.08 10.54 19.59 27.53 2.24 8.73
AB00953319 graphic file with name nihms532480t49.jpg 1.29 2.87 31.13 15.56 31.13 4.14 −0.49 6.27
AB00953326 graphic file with name nihms532480t50.jpg 1.26 3.89 31.67 15.84 13.96 43.38 3.47 11.73
AB00953420 graphic file with name nihms532480t51.jpg 0.40 0.91 99.34 49.63 95.50 28.98 3.16 −14.71
AB00953487 graphic file with name nihms532480t52.jpg 0.45 1.00 21.26 19.48 22.86 26.51 3.35 −6.36
AB00953603 graphic file with name nihms532480t53.jpg 0.75 2.46 50.90 26.53 28.24 35.19 1.18 15.42