Literature summary for 3.4.22.27 extracted from

Cai, J.; Fradera, X.; van Zeeland, M.; Dempster, M.; Cameron, K.S.; Bennett, D.J.; Robinson, J.; Popplestone, L.; Baugh, M.; Westwood, P.; Bruin, J.; Hamilton, W.; Kinghorn, E.; Long, C.; Uitdehaag, J.C.
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important (2010), Bioorg. Med. Chem. Lett., 20, 4507-4510.

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Inhibitors

Inhibitors	Comment	Organism	Structure
4-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens
6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens
6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens
6-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens
6-[4-[3-(2-ethyl-1H-imidazol-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens
6-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile	-	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Synonyms

Synonyms	Comment	Organism
cathepsin S	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0000013	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
0.0000045	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
0.000006	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000029	-	pH and temperature not specified in the publication	Homo sapiens	6-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
0.000031	-	pH and temperature not specified in the publication	Homo sapiens	6-[4-[3-(2-ethyl-1H-imidazol-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
0.000058	-	pH and temperature not specified in the publication	Homo sapiens	6-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
0.000155	-	pH and temperature not specified in the publication	Homo sapiens	6-[4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
0.00166	-	pH and temperature not specified in the publication	Homo sapiens	6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
0.002884	-	pH and temperature not specified in the publication	Homo sapiens	6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

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Release 2023.1 (January 2023)