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. 2012 Mar 29;7(3):e33886. doi: 10.1371/journal.pone.0033886

Table 1. αK i (µM) values of Chembridge compounds against IMP and NAD+, in vitro activity of Chembridge compounds against M. tuberculosis H37Rv and M. smegmatis and selectivity index (SI).

ChemBridge I.d. IMP K i (µM) IMP αK i (µM) NAD K i (µM) NAD αK i (µM) M. tb MIC90 (µg/ml) SI M. smeg MIC90 (µg/ml)
5217501 0.548 (UC) 0.523 (UC) 4.83 >8.76 12
6655281 16.7 (UC) 13.9 (UC) 3.45 3.66 0.75
7240597 101.6 (UC) 94.1 (UC) 10.43 NA 40
7383310 36.9 (UC) 95.8 (UC) 5.50 >2.73 20
7407367 142.3 (UC) 141.3 (UC) 7.45 >2.01 >28
7409994 6.46 (UC) 3.36 (UC) 3.27 >4.59 >128
7577905 243.6 (NC) 151.4 (C) 2.35 >6.37 48
7610600 34.6 (UC) 29.2 (UC) 1.65 >9.11 >96
7622922 136.5 (UC) 804.8 (UC) 1.84 >8.14 >128
7741101 42.9 (UC) 72.1 (UC) 5.47 >7.31 >128
7741703 24.7 (UC) 24.8 (UC) 3.29 >4.56 48
7756985 96.6 (UC) 207.4 (UC) 0.80 >18.66 4
7759844 0.603 (UC) 0.233 (UC) 0.63 >23.70 8
7913222 126.0 (UC) 92.3 (UC) 6.27 >2.39 64
9008726 31.0 (UC) 44.0 (UC) 4.26 >15 NA

SI defined as Inline graphic i.e. the ratio of vero cell cytotoxicity to the anti-TB activity.

Note: (UC) stands for Uncompetitive inhibition, (NC) Noncompetitive, (C) Competitive, (NA) Not available and (SI) Selectivity index.