Structures of 3 and its three derivatives, 6, 7 and 8, alongside their PDB codes, % inhibitions, IC₅₀ values, ligand efficiencies and GI₅₀ values. IC₅₀ values are given as the mean ± SEM from three repeats; GI₅₀ values are given as the mean ± SEM from three experiments run in triplicate; N.S. = not soluble; N/A = not applicable; *under deposition.

Compound	Structure	PDB	% inhibition at 1 mM	% inhibition at 500 μM	IC50 (μM)	Ligand efficiency (kJ mol−1)	GI50 HCT116 (μM)	GI50 Jurkat (μM)	GI50 A459 (μM)
3		7ZY2	50 ± 13	22 ± 5	N/A	N/A	N/A	N/A	N/A
6		7ZYD	N.S.	93 ± 5	333 ± 24	0.44	N/A	N/A	N/A
7		*	84 ± 6	66 ± 5	410 ± 26	0.47	N/A	N/A	N/A
8		7ZY0	105 ± 9	87 ± 11	86 ± 24	0.44	88 ± 7	55 ± 2	29 ± 7