Table 3: The IC50 values and Δ to the compounds A–G.

CompoundIC50 (M) (kcal⋅mol−1)
EeAChEDrAChEHsAChEEcBChETcAChE
(1EA5)
HsAChE
(1B41)
HsBChE
(4BDS)

A36.33 ± 3.1426.23 ± 3.9813.22 ± 1.3822.22 ± 1.06−11.7−9.0−10.6
B577.7 ± 84.321.16 ± 1.4437.55 ± 1.974.02 ± 0.78−12.2−9.8−11.6
C761.17 ± 127.6239.45 ± 2.9592.08 ± 39.730.75 ± 0.18−11.8−9.9−10.6
D5.39 ± 0.552.31 ± 0.291.69 ± 0.465.64 ± 2.47−13.0−10.9−11.4
E341.6 ± 54.626.41 ± 5.30512.25 ± 300.6512.66 ± 7.66−10.8−10.2−9.7
F84.16 ± 6.0191.7 ± 29.8150.95 ± 61.6832.85 ± 3.88−11.6−11.2−10.6
G344.39 ± 50.749.78 ± 15.2870.03 ± 7.969.51 ± 6.94−12.6−11.3−10.6

EeAChE = AChE from Electrophorus electricus; DrAChE = AChE from Danio rerio; TcAChE = AChE from Torpedo californica; HsAChE and HsBChE = AChE and BChE from Homo sapiens, respectively.