Literature summary for 3.4.22.27 extracted from

Cai, J.; Bennett, D.J.; Rankovic, Z.; Dempster, M.; Fradera, X.; Gillespie, J.; Cumming, I.; Finlay, W.; Baugh, M.; Boucharens, S.; Bruin, J.; Cameron, K.S.; Hamilton, W.; Kerr, J.; Kinghorn, E.; McGarry, G.; Robinson, J.; Scullion, P.; Uitdehaag, J.C.; van Zeeland, M.; Potin, D.; Saniere, L.; Fouquet, A.; Chevallier, F.; Deronzier, H.; Dorleans, C.; Nicolai, E.
2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors (2010), Bioorg. Med. Chem. Lett., 20, 4447-4450.

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Inhibitors

Inhibitors	Comment	Organism
2-[3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile	-	Homo sapiens
2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile	-	Homo sapiens
2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9-ethyl-9H-purine-6-carbonitrile	-	Homo sapiens
2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile	-	Homo sapiens
2-[4-methoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile	-	Homo sapiens
4-(3-acetylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-bromophenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-ethylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-phenyl-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-[3-(trifluoromethoxy)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	-	Homo sapiens
4-[2-chloro-5-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[3,5-bis(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[3-(2-methylpropyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[3-(methylsulfonyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[3-(propan-2-yl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-chloro-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-fluoro-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
4-[4-methyl-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile	-	Homo sapiens
9-[3-(dimethylamino)propyl]-2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-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
0.0000039	-	pH and temperature not specified in the publication	Homo sapiens	2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile
0.0000045	-	pH and temperature not specified in the publication	Homo sapiens	2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9-(2-hydroxyethyl)-9H-purine-6-carbonitrile
0.000006	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.0000069	-	pH and temperature not specified in the publication	Homo sapiens	9-[3-(dimethylamino)propyl]-2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile
0.0000072	-	pH and temperature not specified in the publication	Homo sapiens	2-[4-ethoxy-3-(trifluoromethyl)phenyl]-9-ethyl-9H-purine-6-carbonitrile
0.00001	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-methyl-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000013	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-fluoro-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000015	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-methoxy-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000023	-	pH and temperature not specified in the publication	Homo sapiens	2-[4-methoxy-3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile
0.000028	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-chloro-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000032	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
0.000041	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
0.000051	-	pH and temperature not specified in the publication	Homo sapiens	4-[3,5-bis(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000058	-	pH and temperature not specified in the publication	Homo sapiens	4-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.00006	-	pH and temperature not specified in the publication	Homo sapiens	2-[3-(trifluoromethyl)phenyl]-9H-purine-6-carbonitrile
0.000063	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-cyclobutylphenyl)-6-propylpyrimidine-2-carbonitrile
0.000083	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-ethylphenyl)-6-propylpyrimidine-2-carbonitrile
0.000093	-	pH and temperature not specified in the publication	Homo sapiens	4-[3-(methylsulfonyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.000115	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-[3-(trifluoromethoxy)phenyl]pyrimidine-2-carbonitrile
0.000148	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitrile
0.000155	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile
0.000174	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-bromophenyl)-6-propylpyrimidine-2-carbonitrile
0.000191	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-tert-butylphenyl)-6-propylpyrimidine-2-carbonitrile
0.000195	-	pH and temperature not specified in the publication	Homo sapiens	4-[3-(propan-2-yl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.0002	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-cyclopropylphenyl)-6-propylpyrimidine-2-carbonitrile
0.000224	-	pH and temperature not specified in the publication	Homo sapiens	4-[3-(2-methylpropyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.00041	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitrile
0.000447	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-acetylphenyl)-6-propylpyrimidine-2-carbonitrile
0.00095	-	pH and temperature not specified in the publication	Homo sapiens	4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile
0.001047	-	pH and temperature not specified in the publication	Homo sapiens	4-[2-chloro-5-(trifluoromethyl)phenyl]-6-propylpyrimidine-2-carbonitrile
0.001259	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
0.01	-	pH and temperature not specified in the publication	Homo sapiens	4-phenyl-6-propylpyrimidine-2-carbonitrile
0.01	-	pH and temperature not specified in the publication	Homo sapiens	4-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile