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. Author manuscript; available in PMC: 2011 Mar 17.
Published in final edited form as: ACS Chem Neurosci. 2010 Mar 17;1(3):223–233. doi: 10.1021/cn900032u

Table 1.

Experimental and theoretical calculations using known DAT ligands.

Drug E pKi[a] T pKi[b] Score
Cocaine 6.89 7.10 ± 0.19 -6.20 ± 0.67
8-Oxa-norcocaine 5.81 5.77 ± 0.09 -6.21 ± 0.10
WIN 35,428 7.70 7.00 ± 0.37 -6.12 ± 0.27
4-ARA-127 5.48 6.67 ± 0.28 -5.18 ± 0.18
Methylphenidate 7.24 7.21 ± 0.27 -5.57 ± 0.21
Mazindol 7.89 8.82 ± 0.26 -6.04 ± 0.27
Benztropine 6.90 7.66 ± 0.20 -6.62 ± 0.16
GBR 12,909 7.51 9.91 ± 0.33 -8.15 ± 0.11
[a]

(Experimental pKi reported by Ukairo et al. (12)

[b]

(Theoretical pKi)