TABLE 2.

Kinetics parameters of UGT1A9 mediated 3-O-glucuronidation with flavonols, together with the predicted V_max and CL_int values from their respective CoMFA models

Compound	Name	Km	Vmax	CLint (Vmax/Km)	Log (Vmax)		Log (CLint)
					Observeda	Calculatedb	Observeda	Calculatedb
		μM	nmol/mg/min	ml/mg/min
1	32′DHF	0.67	0.052	0.078	1.72	1.68	1.89	2.31
2	33′4′THF	0.10	2.2	22	3.34	3.41	4.34	4.37
3	34′DHF	0.13	1.8	14	3.25	3.30	4.14	4.06
4	364′THF	0.31	6.8	22	3.84	3.94	4.34	4.29
5	36DHF	0.62	13	21	4.11	4.08	4.32	4.31
6	37DHF	0.22	4.6	21	3.66	3.51	4.32	4.07
7	3H2′MF	0.21	3.8	18	3.58	3.59	4.25	4.08
8	3H3′MF	0.063	2.9	46	3.47	3.44	4.66	4.47
9	3H4′MF	0.059	1.9	32	3.28	3.33	4.51	4.59
10	3H57DMF	0.13	3.3	26	3.52	3.70	4.40	4.52
11	3H5MF	0.082	1.9	24	3.29	3.24	4.36	4.11
12	3H64′DMF	0.043	2.2	51	3.34	3.33	4.71	4.73
13	3H6MF	0.074	5.4	73	3.73	3.66	4.86	4.84
14	3H7MF	0.27	10	37	4.01	4.00	4.57	4.62
15	3HF	0.30	2.1	7.0	3.32	3.45	3.84	4.16
16	Dioxy	0.066	6.0	91	3.78	3.69	4.96	5.20
17	Iso	0.32	12	38	4.09	4.17	4.59	4.81
18	3574′QHF	0.32	1.9	6.0	3.28	3.24	3.78	3.51
19	Morin	0.68	0.040	0.060	1.60	1.62	1.77	1.86
20	Myr	0.61	0.49	0.80	2.69	2.88	2.90	3.24
21	3573′4′PHF	0.36	3.3	9.2	3.52	3.32	3.97	3.77
22	374′THF	0.36	2.6	7.3	3.42	3.35	3.86	3.98
23	Rha	0.23	10	45	4.01	3.92	4.65	4.38
24c	33′DHF	0.11	3.1	29	3.50	3.47	4.44	4.27
25c	35DHF	0.25	1.9	7.4	3.27	3.48	3.87	3.74
26c	3H2′3′DMF	0.52	4.4	16	3.91	3.15	3.92	3.84
27c	3H6MeF	0.0616	6.75	110	3.83	3.61	5.04	4.76
28c	3H74′DMF	0.19	8.7	46	4.25	3.80	4.66	5.02
29c	Fisetin	0.63	1.5	2.3	3.16	3.34	3.38	4.01
30c	357THF	0.68	7.4	11	3.87	3.95	4.04	3.83

^a Experimentally determined activities.

^b Calculated activities using the CoMFA models.

^c These compounds were used as a test set and are not included in the derivation of equations.