Table 1.

Inhibitory activity and binding affinity of bisanilinopyrimidine inhibitors towards Aurora A.

	Cmpd	PDB	R1	IC50(nM)a	ITCa
					Kd (nM)	ΔH (kcal mol−1)	TΔS (kcal mol−1)
	1	3UO5	-H	10 ± 1.6	39 ± 5.9	−14	−3.9
	2	3UP7	-COOH	6.1 ± 1.0	34 ± 5.9	−14	−3.4
	3	3UO4	-phenyl	149 ± 23	299 ± 27	−3.0	5.6
	4	3UOD	-CF3	35 ± 4.1	49 ± 5.2	−14	−4.2
	5	3UP2	-OCF3	28 ± 4.8	40 ± 5.6	−11	−1.2
	6	3UNZ	-F	3.7 ± 0.7	16 ± 1.6	−17	−6.1
	7	3UO6	-Cl	2.5 ± 0.3	15 ± 1.5	−17	−6.3
	8	3UOH	-Br	2.1 ± 0.4	13 ± 2.2	−15	−4.1
	9	3U0J	-CN	43 ± 8.0	51 ± 5.5	−16	−6.2
	VX680			2.8 ± 0.3	17 ± 3.7	−12	−2.1

^aExperimental data are shown in the Supplementary Figs. 1 and 2.