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. Author manuscript; available in PMC: 2009 Aug 3.
Published in final edited form as: Bioorg Med Chem. 2007 Nov 26;16(4):2114–2130. doi: 10.1016/j.bmc.2007.10.081

Table 4.

Bimolecular rate constant (ki) for inhibitor binding to esterasesa

R Thioether Sulfoxide Sulfone TFDKb

c ki SD N ki SD N ki SD N ki SD
Porcine Esterase

4 1 1.53×107 3.0×105 6 1.30×106 5.0×104 N.D.d N.D. N.D.c N.D.
6 2 1.05×107 7.5×105 7 5.20×105 3.5×104 11 2.67×105 2.4×104 N.D. N.D.
8 3 2.53×107 1.6×106 8 5.72×106 3.2×105 12 5.76×105 3.5×104 15 2.07×107 1.2×106
10 4 9.80×108 1.4×107 9 5.44×108 1.8×107 13 5.88×108 5.6×107 N.D. N.D.
12 5 1.86×107 3.8×105 10 1.97×107 1.2×106 14 4.10×106 1.3×105 N.D. N.D.

hCE1

8 3 1.02×107 6.2×105 8 6.74×106 1.7×105 12 2.47×107 7.5×105 15 6.67×106 2.0×105

hCE2

8 3 3.48×107 1.9×106 8 1.08×107 7.8×105 12 4.27×106 1.4×105 15 2.29×107 1.2×106

Rabbit Esterase

8 3 1.71×107 6.1×105 8 5.12×106 1.7×105 12 4.04×106 1.2×105 15 4.39×106 2.2×105
a

All values are given as the average ± the standard deviation of 3 replicates in units of M−1min−1.

b

1,1,1-trifluorododecan-2-one

c

Individual compound numbers.

d

N.D. indicates that value was not measured.