Table 3. Inhibitory activities and MM-GBSA energies of the studied compounds.

Compound	HDAC1 IC50 [μM]	HDAC1 pIC50	MM-GBSA (kcal/mol)	HDAC6 IC50 [μM]	HDAC6 pIC50	MM-GBSA(kcal/mol)
8a	n.i.	-	-20.44	-	-	n.c
8b	316	3.50	-20.77	-	-	n.c.
8c	216	3.67	-20.89	-	-	n.c.
8d	140	3.85	-20.96	-	-	n.c
9a	12.4	4.91	-29.51	1.00	6.00	-34.72
9b	12.4	4.91	-28.27	0.10	7.00	-36.03
9c	5.7	5.24	-28.88	0.20	6.70	-35.39
9d	4.8	5.32	-29.43	0.10	7.00	-36.47

n.c. = not calculated, n.i. = no inhibition