Table 3.

Activities of Confirmed Hits from Chemical Library Screen of Recombinant Human GAPDHS

No.	GST-GAPDHS					His-GAPDHS IC50 (µM)f
	% Inhibition in HTS	IC50 (µM)a	Hill Slope Valueb	LEc (kcal mol-1 non-H atom-1)	BEId
1	70.1%	10.7	1.7	0.30	17	13
2	102.5%	6.5	1.1	0.47	24	11
3	90.3%	1.8	1.1	0.53	28	3
4	64.2%	16.8	1.0	0.55	28	30
5	56.0%	8.3	1.4	0.32	16	10
6	103.4%	11.9	1.0	0.27	14	12
7	45.9%	20.8	0.9	0.21	11	22
8	103.5%	36.1	1.1	0.38	20	44
9	33.8%	42.5	1.8	0.40	18	26
10	51.3%	45% inhibition at 80 µM	0.6	N/Ae	N/A	ND
11	101.1%	11.0	1.4	0.36	18	13
12	86.9%	30% inhibition at 80 µM	N/A	N/A	N/A	ND
13	52.6%	30% inhibition at 80 µM	N/A	N/A	N/A	ND
14	102.0%	30% inhibition at 80 µM	N/A	N/A	N/A	ND

^aFor IC₅₀ determinations, serial dilutions of compounds were tested starting at a high concentration of 80 µM versus the E. coli expressed GST-GAPDHS. If 50% inhibition was not achieved at top dose, value is shown as % inhibition at 80 µM. IC₅₀ values are the average for at least three independent determinations.

^bIC₅₀ and Hill slope values determined by XLfit software (ID Business Solutions).

^cLE: ligand efficiency (Δg=ΔG _{Nnon-H atoms}^-1), a measure of the binding energy of the ligand per non-hydrogen atom [30].

^dBEI: binding efficiency index (BEI=-logIC₅₀ MW-¹) a measure of the binding affinity of the ligand per ligand molecular weight [29].

^eN/A not applicable, as a dose response curve was not generated.

^fIC₅₀ determinations from dose response against the baculovirus expressed his-GAPDHS [22]. Values determined by XLfit software (ID Business Solutions). ND, not determined.