In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

Table 1

Bioactivity of compounds in the training set from literature.

Compound	[nM]	IC50 [nM]	Reference
1		12	[34]
2		15	[34]
3		11	[34]
4	6		[35]
5	7		[36]
6	6		[37]
7		30	[38]
8		19	[38]
9		18	[38]
10		30	[38]
11		17	[39]
12		11	[39]
13		17	[39]
14		19	[40]
15		5	[24]
16		<5	[24]
17		<10	[24]
18		11	[24]
19		6	[24]
20		13	[41]
21		7	[42]
22		30	[27]