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. 2015 Dec 2;16(12):28534–28548. doi: 10.3390/ijms161226114

Table 1.

Details of the compounds tested in this study for the inhibition of mushroom tyrosinase.

ID Chemical 2D Structure ZINC ID Mw IC50 (μM) LE
1 Phenylthiourea (PTU) graphic file with name ijms-16-26114-i001.jpg ZINC03875720 152 1 0.84
2 Kojic acid graphic file with name ijms-16-26114-i002.jpg ZINC13831818 142 29 0.64
3 Thioacetazone graphic file with name ijms-16-26114-i003.jpg ZINC17970372 236 14 0.43
4 Ambazone graphic file with name ijms-16-26114-i004.jpg ZINC18066619 237 15 0.42
5 Methimazole graphic file with name ijms-16-26114-i005.jpg ZINC01187543 114 94 0.81
6 Carbimazole graphic file with name ijms-16-26114-i006.jpg ZINC00001091 186 >2000 -
7 Thiouracil graphic file with name ijms-16-26114-i007.jpg ZINC05127810 128 215 0.64
8 Methylthiouracil graphic file with name ijms-16-26114-i008.jpg ZINC05037820 142 266 0.56
9 Propylthiouracil graphic file with name ijms-16-26114-i009.jpg ZINC04640636 170 375 0.44

All chemicals in following Table 2, Table 3 and Table 4 have the identical IDs to those in Table 1; MW and IC50 mean molecular weight and half maximal inhibitory concentration, respectively; LE indicates ligand efficiency that is defined as 1.4 × (−log10IC50)/N, where N is the number of non-hydrogen atoms [32].