3.4.22.B62	(2E)-2-[(2,3-dimethyl-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(2-phenylethyl)hydrazinecarboxamide	32% inhibiton at 0.01 mM	237614	
3.4.22.B62	(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(2-phenylethyl)hydrazinecarboxamide	61% inhibiton at 0.01 mM	237615	
3.4.22.B62	(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(prop-2-en-1-yl)hydrazinecarbothioamide	39% inhibiton at 0.01 mM	237616	
3.4.22.B62	(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-butylhydrazinecarboxamide	27% inhibiton at 0.01 mM	237617	
3.4.22.B62	(2E)-N'-(2-[(naphthalen-1-ylmethyl)sulfanyl]acetyl)-3-phenylprop-2-enehydrazide	-	239815	
3.4.22.B62	(2Z)-2-[(2E)-[(2,3-dimethyl-1,4-dioxidoquinoxalin-6-yl)methylidene]hydrazinylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one	22% inhibiton at 0.01 mM	237817	
3.4.22.B62	(6,7-difluoro-3-methyl-1,4-dioxidoquinoxalin-2-yl)(phenyl)methanone	17% inhibiton at 0.01 mM	237958	
3.4.22.B62	2-([4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one	-	239814	
3.4.22.B62	2-methylquinoxaline 1,4-dioxide	8% inhibiton at 0.01 mM	238201	
3.4.22.B62	3-amino-7-([ethyl[(2Z)-3-phenylprop-2-en-1-yl]amino]methyl)quinoxaline-2-carbonitrile 1,4-dioxide	45% inhibiton at 0.01 mM	238319	
3.4.22.B62	3-methyl-N-phenyl-7-([4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl]methyl)quinoxaline-2-carboxamide 1,4-dioxide	49% inhibiton at 0.01 mM	238334	
3.4.22.B62	3-methyl-N-phenylquinoxaline-2-carboxamide 1,4-dioxide	40% inhibiton at 0.01 mM	238336	
3.4.22.B62	4-(2,5-dimethyl-1H-pyrrol-1-yl)-N'-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)benzohydrazide	-	239812	
3.4.22.B62	4-[4-(benzyloxy)phenyl]-3-([(4-methylphenyl)methyl]sulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one	-	239816	
3.4.22.B62	6,7-dichloro-2-methyl-3-(phenylsulfanyl)quinoxaline 1,4-dioxide	22% inhibiton at 0.01 mM	238567	
3.4.22.B62	6-[(E)-[(2Z)-[4-(4-chlorophenyl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene]methyl]-2,3-dimethylquinoxaline 1,4-dioxide	2% inhibiton at 0.01 mM	238576	
3.4.22.B62	6-[(E)-[(2Z)-[4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-N,3-diphenylquinoxaline-2-carboxamide 1,4-dioxide	81% inhibiton at 0.01 mM	238577	
3.4.22.B62	7-[ethyl[(2E)-3-phenylprop-2-en-1-yl]amino]-3-methyl-N-phenylquinoxaline-2-carboxamide 1,4-dioxide	54% inhibiton at 0.01 mM	238638	
3.4.22.B62	cathepsin K inhibitor II	i.e. Z-LNHNHCONHNHLF-Boc	6940	
3.4.22.B62	E-64	-	559	
3.4.22.B62	ethyl 3-methyl-7-[(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl]quinoxaline-2-carboxylate 1,4-dioxide	58% inhibiton at 0.01 mM	238675	
3.4.22.B62	ethyl 3-methylquinoxaline-2-carboxylate 1,4-dioxide	5% inhibiton at 0.01 mM	238676	
3.4.22.B62	ethyl 3-phenyl-7-([4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl]methyl)quinoxaline-2-carboxylate 1,4-dioxide	61% inhibiton at 0.01 mM	238677	
3.4.22.B62	ethyl 3-phenyl-7-[(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl]quinoxaline-2-carboxylate 1,4-dioxide	86% inhibiton at 0.01 mM	238678	
3.4.22.B62	ethyl 6,7-dichloro-3-phenylquinoxaline-2-carboxylate 1,4-dioxide	35% inhibiton at 0.01 mM	238679	
3.4.22.B62	methyl (2E)-2-[(2,3-dimethyl-1,4-dioxidoquinoxalin-6-yl)methylidene]hydrazinecarboxylate	3% inhibiton at 0.01 mM	238689	
3.4.22.B62	methyl (2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]hydrazinecarboxylate	27% inhibiton at 0.01 mM	238690	
3.4.22.B62	additional information	cathepsin L inhibitors with activity against the liver fluke identified from a focus library of quinoxaline 1,4-di-N-oxide derivatives, library screening, overview. Analysis of me-ligand interactions in silico by molecular docking and molecular dynamic (MD) simulations. The compounds readily kill newly excysted juveniles of Fasciola hepaticaa in vitro and have low cytotoxicityin a Hep-G2 cell line and bovine spermatozoa. No inhibition by quinoxaline-2-carbaldehyde 1,4-dioxide, 3-aminoquinoxaline-2-carbonitrile 1,4-dioxide, 3-amino-6,7-dichloroquinoxaline-2-carbonitrile 1,4-dioxide, and 3-methyl-N-phenyl-7-[(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl]quinoxaline-2-carboxamide 1,4-dioxide	2	
3.4.22.B62	additional information	virtual inhibitor screening is carried out by docking inhibitors obtained from the MYBRIDGE-HitFinder database to FhCL3 and human cathepsin L substrate-binding sites. On the basis of dock-scores, five compounds are predicted as selective inhibitors of FhCL3, molecular dynamic simulations. The active site-binding compounds prevent substrate processing by competitive inhibition. Structure-based drug design strategy, overview. Calculation of inhibition kinetics and thermodynamics	2	
3.4.22.B62	N,3-diphenyl-6-[(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl]quinoxaline-2-carboxamide 1,4-dioxide	79% inhibiton at 0.01 mM	238717	
3.4.22.B62	N1-[3,5-bis(trifluoromethyl)phenyl]-N2-(1-ethynylcyclohexyl)benzene-1,2-dicarboxamide	-	239916	
3.4.22.B62	Z-Phe-Ala-CHN2	-	18065	
3.4.22.B62	[1,4-dioxido-3-(trifluoromethyl)quinoxalin-2-yl](phenyl)methanone	22% inhibiton at 0.01 mM	239146	
3.4.22.B62	[6,7-difluoro-1,4-dioxido-3-(trifluoromethyl)quinoxalin-2-yl](phenyl)methanone	38% inhibiton at 0.01 mM	239150