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. 2014 Sep 25;57(20):8635–8645. doi: 10.1021/jm5012935

Table 1. Inhibition, Permeability, and Isozyme Selectivity Ratio Data for Human CA Isozymes I, II, IX, and XII with Compounds 4a–4g and 5b–5e.

    Ki (nM)b
 selectivity ratioc
compd cLogPa CA I CA II CA IX CA XII I/IX II/IX I/XII II/XII
4a –0.76 1050 94 215 9 5 <1 117 10
4b –0.51 1350 525 215 94 6 2 14 6
4c –0.39 350 10 2 9 175 5 39 1
4d –0.93 2400 265 2 60 1200 133 40 4
4e –0.30 1550 110 2 8 775 55 194 14
4f –0.01 9500 725 2 1 4750 363 9500 725
4g –0.89 >20000 190 115 85 >174 2 >235 2
5b –2.65 9000 5 2 1 4500 3 9000 5
5c –2.53 2400 6400 2 21 1200 3200 114 305
5d –3.07 >20000 >20000 11 85 >1800 >1800 >235 >235
5e –2.44 2400 185 2 34 1200 93 71 5
a

Calculated using ChemDraw Ultra 12.

b

Errors in the range of ±5% of the reported value, from three determinations.

c

Selectivity is determined by the ratio of Kis for CA isozyme relative to CA IX and XII.