. Author manuscript; available in PMC: 2016 May 19.

Published in final edited form as: J Med Chem. 2015 Sep 16;58(19):7850–7862. doi: 10.1021/acs.jmedchem.5b01121

Table 2.

Binding affinity and ligand efficiency metrics and indices of the previously published 15-LOX-1 inhibitors as well as the newly synthesized inhibitor 14d

15-LOX inhibitors	K_i (µM)	LE^*	BEI	SEI
14d	0.036	0.40	19.90	12.71
PD-146176	3.81	0.43	22.79	34.31
Tryptamine sulfonamide	0.021	0.30	15.71	10.78
Pyrazole-based sulfamide	0.001	0.32	15.54	8.26
Imidazole-based sulfamide	0.073	0.24	11.93	7.88
ML094	0.010	0.36	19.12	12.26
Indolizine	25.0	0.19	10.47	9.63

The units for LE are (kcal/mol·HA)