Table 2. Binding affinity and inhibitory activities of 1-8 against MTH1 enzyme in vitro.

No.	mfScores (kcal/mol)	MTH1
		Kd (μM)	IC50 (μM)
1	-215.1	4.710±0.686	10.92±1.04
2	-182.9	2.380±0.663	10.95±1.03
3	-180.4	246.0±38.7	22.90±1.04
4	-187.5	4.630±0.519	22.89±1.07
5	-173.2	296.0±13.3	16.33±1.03
6	-163.4	113.0±25.4	8.62±1.03
7	-200.8	103.0±32.1	28.48±1.05
8	-202.3	210.0±42.7	26.60±1.03
(S)-crizotiniba	N.P.b	0.018±0.002	0.88±1.51

^a (S)-crizotinib was used as positive control.

^b N.P. represents mfScores of (S)-crizotinib was not performed.