. Author manuscript; available in PMC: 2017 Jun 30.

Published in final edited form as: J Med Chem. 2017 Apr 3;60(7):3070–3081. doi: 10.1021/acs.jmedchem.7b00109

Table 2.

Derivatives of the VLS hit compounds with measured sub-micromolar binding affinity to KOR.

Comp#	Vendor ID	Vendor	%Inhib^a	±	SEM^b	pK_i	±	SEM	K_i(μM)	LE^c
64	9040216	Chembridge	97.90	±	0.63	7.08	±	0.10	0.09	0.47
81	Z1176485991	Enamine	78.81	±	4.10	6.81	±	0.03	0.16	0.53
67	9288333	Chembridge	98.25	±	0.19	6.64	±	0.07	0.23	0.44
60	36660379	Chembridge	96.87	±	0.76	6.46	±	0.06	0.35	0.41
69	9315946	Chembridge	69.10	±	0.00	6.44	±	0.07	0.38	0.35
72	Z88446096	Enamine	86.45	±	1.58	6.29	±	0.06	0.52	0.34
87	Z1347292377	Enamine	74.05	±	3.05	6.25	±	0.14	0.63	0.46
70	9323243	Chembridge	75.81	±	2.55	6.19	±	0.07	0.66	0.32
86	Z973099512	Enamine	82.43	±	1.09	6.17	±	0.10	0.71	0.45
73	Z27622033	Enamine	73.96	±	2.82	6.15	±	0.07	0.72	0.32
71	Z32277632	Enamine	64.03	±	0.95	6.04	±	0.09	0.95	0.35

Inhibition of ³H-U69593 radioligand binding

Standard Error of the Mean, N=3

Ligand Efficiency