Exploration of Drug Science

Table 1

The structures and activities of non-covalent proteasome inhibitors

No.	IC₅₀ (nmol/L)	pIC₅₀	CoMFA		CoMSIA

			Pred.	Res.	Pred.	Res.
A-group
1	1,682	5.774	5.793	–0.019	5.840	–0.066
2	836	6.078	6.093	–0.015	6.088	–0.010
3	280	6.553	6.494	0.059	6.463	0.090
4*	395	6.403	6.285	0.118	6.285	0.118
5	89	7.051	7.071	–0.020	7.071	–0.020
6	2,000	5.699	5.705	–0.006	5.661	0.038
7	952	6.021	6.044	–0.023	5.956	0.065
8	4,726	5.326	5.317	0.009	5.370	–0.044
9*	1,197	5.922	6.137	–0.215	6.095	–0.173
10*	922	6.035	6.744	–0.709	6.345	–0.310
11	230	6.638	6.624	0.014	6.625	0.013
12	361	6.442	6.440	0.002	6.490	–0.048
13	3,863	5.413	5.423	–0.010	5.447	–0.034
14*	2,011	5.697	5.562	0.135	5.528	0.169
15	5,907	5.229	5.221	0.008	5.187	0.042
16	1,111	5.954	5.955	–0.001	5.977	–0.023
R-group
17	481	6.318	6.334	–0.016	6.270	0.048
18	243	6.614	6.593	0.021	6.537	0.077
19*	89	7.051	6.837	0.214	6.887	0.164
20**	49	7.310	7.303	0.007	7.164	0.146
21	118	6.928	6.938	–0.010	6.978	–0.050
22	64	7.194	7.212	–0.018	7.304	–0.110
23	579	6.237	6.226	0.011	6.306	–0.069
24	259	6.587	6.592	–0.005	6.593	–0.006
25	952	6.021	6.015	0.006	6.096	–0.075
26*	405	6.393	6.099	0.294	6.281	0.112
27	1,561	5.807	5.821	–0.014	5.765	0.042
28	968	6.014	5.995	0.019	6.020	–0.006