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. Author manuscript; available in PMC: 2013 Aug 13.
Published in final edited form as: J Med Chem. 2010 Sep 23;53(18):6730–6746. doi: 10.1021/jm100898v

Table 1.

Inhibition constants for the interaction of immucillins with E. coli MTAN and human MTAPa and the ratio of the two values in order to provide a qualitative indication of the therapeutic window for the treatment of an E. coli infection.

Compound Ki for
E. coli MTAN
(nM)
Ki for
Human MTAP
(nM)
Ki Human MTAP
/
Ki E. coli MTAN
graphic file with name nihms-230320-t0012.jpg 0.84 ± 0.06 *3.2 ± 0.2 4
graphic file with name nihms-230320-t0013.jpg *0.009 ± 0.001 0.8 ± 0.1 89
graphic file with name nihms-230320-t0014.jpg *0.047 ± 0.009 *1.7 ± 0.3 36
graphic file with name nihms-230320-t0015.jpg 0.7 ±0.1 18 ± 2 26
graphic file with name nihms-230320-t0016.jpg 0.063 ± 0.005 *2.1 ± 0.3 33
graphic file with name nihms-230320-t0017.jpg *0.013 ± 0.001 *2.6 ± 0.4 200
graphic file with name nihms-230320-t0018.jpg 0.059 ± 0.008 14 ± 2 237
graphic file with name nihms-230320-t0019.jpg *0.03 ± 0.002 8 ± 1 267
graphic file with name nihms-230320-t0020.jpg 0.65 ± 0.03 3.2 ± 0.4 4.9
graphic file with name nihms-230320-t0021.jpg 0.35 ± 0.03 3.0 ± 0.3 8.6
graphic file with name nihms-230320-t0022.jpg 0.39 ± 0.02 31 ± 3 80
graphic file with name nihms-230320-t0023.jpg 2.0 ± 0.2 59 ± 8 30
graphic file with name nihms-230320-t0024.jpg *0.064 + 0.005 -b selective
graphic file with name nihms-230320-t0025.jpg *0.054 ± 0.005 71 ± 5 1314
graphic file with name nihms-230320-t0026.jpg 0.31 ± 0.02 *0.7 ± 0.2 2
graphic file with name nihms-230320-t0027.jpg 0.0034 ± 0.0009 *0.55 ± 0.07 162
graphic file with name nihms-230320-t0028.jpg 1.8 ± 0.3 34 ± 3 19
a

Ki is the dissociation constant for the first step in E + I ↔ EI ↔ EI*, the two-step binding characteristic of slow-onset tight-binding inhibition.

*

indicates slow onset binding and is theoverall dissociation constant for E + I ↔ EI*. In cases where no * is shown then slow-onset inhibition was not observed.

b

indicates that no inhibition was observed at 2.5 μM.