. Author manuscript; available in PMC: 2009 Jan 27.

Published in final edited form as: J Med Chem. 2007 Mar 17;50(8):1799–1809. doi: 10.1021/jm0612463

Table 2.

Model properties, selected pharmacophore points and comparison of observed and predicted relative efficac ies of δ opioid ligands with 1 as the reference molecule.

Model, R² = 0.978		Y-intercept	AB-NBA	NA-NBA
Coefficients		0.072	3.375	11.026
P-values		0.0431	0.0004	0.0007
	Biological Activity		OC Values
Compound	Experimental	Predicted	AB-NBA	NA-NBA
2	0.08	0.1	0.007492	0
3	0.36	0.27	0.057046	0.000529
4	0	0.08	0.000996	0
5	0.12	0.08	0.001019	0
6	0.18	0.22	0.044116	0.000063
14	0.59	0.56	0.074764	0.021763
15	0.59	0.59	0.070327	0.025072
16	0.8	0.8	0.084515	0.040306
17	0.9	0.93	0.180618	0.022434

Model obtained using multiple regression with the maximum A to B distance based calculation of OC.