. Author manuscript; available in PMC: 2012 May 26.

Published in final edited form as: J Med Chem. 2011 May 2;54(10):3524–3548. doi: 10.1021/jm2001053

Table 5.

K_I values for the heterocycle linker series.

Compound	K_I (μM)^a					SphK1 Selectivity^b
	Predicted SphK1	95% Confidence		SphK1	SphK2
	Predicted SphK1	Lower Limit	Upper Limit	SphK1	SphK2
38	-	-	-	0.075	3.0	80
53	0.065	0.01	0.45	2.0	20	20
56	0.031	0.005	0.21	0.047	4.2	180
60	0.035	0.006	0.24	0.11	6.0	110

K_I = [I]/(K’_M/K_M - 1); K_M of Sphingosine at SphK1 = 10 μM; K_M of Sphingosine at SphK2 = 5 μM

Selectivity = (K_I/K_M)^SphK2/(K_I/K_M)^SphK1