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Literature summary for 3.4.22.27 extracted from

  • Ward, Y.D.; Thomson, D.S.; Frye, L.L.; Cywin, C.L.; Morwick, T.; Emmanuel, M.J.; Zindell, R.; McNeil, D.; Bekkali, Y.; Girardot, M.; Hrapchak, M.; DeTuri, M.; Crane, K.; White, D.; Pav, S.; Wang, Y.; Hao, M.H.; Grygon, C.A.; Labadia, M.E.; Freeman, D.M.; Davidson, W.; Hopkins, J.L.; Brown, M.L.; Spero, D.M.; Giradot, M.
    Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors (2002), J. Med. Chem., 45, 5471-5482.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
cathepsin S mixed with morpholine-4-carboxylic acid [1S-(2-benzyloxy-1R-cyano-ethylcarbamoyl)-3-methylbutyl]amide, crystals are grown by vapor diffusion at room temperature in hanging drops Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
morpholine-4-carboxylic acid [1R-(1S-cyano-3-phenyl-propylcarbamoyl)-1,3-dimethyl-butyl]-amide
-
Homo sapiens
morpholine-4-carboxylic acid [1R-(1S-cyano-3-phenyl-propylcarbamoyl)-3-methylbutyl]amide IC50: 0.011 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1R-cyano-3-phenylpropylcarbamoyl)-3-methylbutyl]amide IC50: 387 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-2,2-dimethylpropylcarbamoyl)-3-methylbutyl]amide IC50: 0.107 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-2-methyl-propylcarbamoyl)-3-methylbutyl]amide IC50: 1400 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-2-phenylethylcarbamoyl)-3-methylbutyl]amide IC50: 130 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenyl-propylcarbamoyl)-1,3-dimethyl-butyl]-amide IC50: 0.076 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-cyclohexyl-ethyl]-amide IC50: 5 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-methyl-propyl]-amide IC50: 0.006 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-phenyl-ethyl]-amide IC50: 173 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-3,3-dimethyl-butyl]-amide IC50: 23 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-cyclohexyl-R-methyl]-amide IC50: 84 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-ethyl]-amide IC50: 0.134 mM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-pentyl]-amide IC50: 41 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyanobutylcarbamoyl)-3-methylbutyl]amide IC50: 82 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyanobutylcarbamoyl)-3-methylpentyl]amide IC50: 56 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(1S-cyanomethylcarbamoyl)-3-methylbutyl]amide IC50: 142 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(2-benzyloxy-1R-cyano-ethylcarbamoyl)-3-methylbutyl]amide IC50: 19 nM Homo sapiens
morpholine-4-carboxylic acid [1S-(cyanomethylcarbamoyl)-3-methylbutyl]amide IC50: 124 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[(1-cyano-1-methyl)ethylcarbamoyl]-3-methylbutyl]amide IC50: 114 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[(cyano-phenyl-S-methyl)carbamoyl]-3-methylbutyl]amide IC50: 51 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[1S-cyano-2-(3,4-dichlorophenyl)ethylcarbamoyl]-3-methylbutyl]amide IC50: 56 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[2-(2-chlorobenzyloxy)-1R-cyanoethylcarbamoyl]-3-methylbutyl]amide 9 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[2-(3-chlorobenzyloxy)-1R-cyanoethylcarbamoyl]-3-methylbutyl]amide 9 nM Homo sapiens
morpholine-4-carboxylic acid [1S-[2-(4-chlorobenzyloxy)-1R-cyanoethylcarbamoyl]-3-methylbutyl]amide 27 nM Homo sapiens
morpholine-4-carboxylic acid [3-methyl-1S-(1-prop-2-ynylcarbamoyl)butyl]amide IC50: 0.097 m Homo sapiens
morpholine-4-carboxylic acid [3-methyl-1S-(1R-methyl-3-phenylpropylcarbamoyl)butyl]amide IC50 above 0.339 mM Homo sapiens
morpholine-4-carboxylic acid [3-methyl-1S-(3-phenyl-propylcarbamoyl)butyl]amide IC50 above 0.028 mM Homo sapiens
[1S-(1S-cyano-3-phenylpropylcarbamoyl)-3-methylbutyl]-amide IC50: 42 nM Homo sapiens
[1S-(2-cyano-1S-phenethyl-ethylcarbamoyl)-3-methylbutyl]amide IC50 above 0.02 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000019
-
IC50: 19 nM Homo sapiens morpholine-4-carboxylic acid [1S-(2-benzyloxy-1R-cyano-ethylcarbamoyl)-3-methylbutyl]amide
0.000023
-
IC50: 23 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-3,3-dimethyl-butyl]-amide
0.000041
-
IC50: 41 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-pentyl]-amide
0.000042
-
IC50: 42 nM Homo sapiens [1S-(1S-cyano-3-phenylpropylcarbamoyl)-3-methylbutyl]-amide
0.000051
-
IC50: 51 nM Homo sapiens morpholine-4-carboxylic acid [1S-[(cyano-phenyl-S-methyl)carbamoyl]-3-methylbutyl]amide
0.000056
-
IC50: 56 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyanobutylcarbamoyl)-3-methylpentyl]amide
0.000056
-
IC50: 56 nM Homo sapiens morpholine-4-carboxylic acid [1S-[1S-cyano-2-(3,4-dichlorophenyl)ethylcarbamoyl]-3-methylbutyl]amide
0.000082
-
IC50: 82 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyanobutylcarbamoyl)-3-methylbutyl]amide
0.000084
-
IC50: 84 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-cyclohexyl-R-methyl]-amide
0.000114
-
IC50: 114 nM Homo sapiens morpholine-4-carboxylic acid [1S-[(1-cyano-1-methyl)ethylcarbamoyl]-3-methylbutyl]amide
0.000124
-
IC50: 124 nM Homo sapiens morpholine-4-carboxylic acid [1S-(cyanomethylcarbamoyl)-3-methylbutyl]amide
0.00013
-
IC50: 130 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-2-phenylethylcarbamoyl)-3-methylbutyl]amide
0.000142
-
IC50: 142 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyanomethylcarbamoyl)-3-methylbutyl]amide
0.000387
-
IC50: 387 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1R-cyano-3-phenylpropylcarbamoyl)-3-methylbutyl]amide
0.0014
-
IC50: 1400 nM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-2-methyl-propylcarbamoyl)-3-methylbutyl]amide
0.006
-
IC50: 0.006 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-methyl-propyl]-amide
0.011
-
IC50: 0.011 mM Homo sapiens morpholine-4-carboxylic acid [1R-(1S-cyano-3-phenyl-propylcarbamoyl)-3-methylbutyl]amide
0.02
-
IC50 above 0.02 mM Homo sapiens [1S-(2-cyano-1S-phenethyl-ethylcarbamoyl)-3-methylbutyl]amide
0.028
-
IC50 above 0.028 mM Homo sapiens morpholine-4-carboxylic acid [3-methyl-1S-(3-phenyl-propylcarbamoyl)butyl]amide
0.076
-
IC50: 0.076 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenyl-propylcarbamoyl)-1,3-dimethyl-butyl]-amide
0.097
-
IC50: 0.097 mM Homo sapiens morpholine-4-carboxylic acid [3-methyl-1S-(1-prop-2-ynylcarbamoyl)butyl]amide
0.107
-
IC50: 0.107 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-2,2-dimethylpropylcarbamoyl)-3-methylbutyl]amide
0.134
-
IC50: 0.134 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-ethyl]-amide
0.339
-
IC50 above 0.339 mM Homo sapiens morpholine-4-carboxylic acid [3-methyl-1S-(1R-methyl-3-phenylpropylcarbamoyl)butyl]amide
5
-
IC50: 5 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-cyclohexyl-ethyl]-amide
173
-
IC50: 173 mM Homo sapiens morpholine-4-carboxylic acid [1S-(1S-cyano-3-phenylpropylcarbamoyl)-2-phenyl-ethyl]-amide