Application | Comment | Organism |
---|---|---|
drug development | [1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester is a lead for future SAR development | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1S,5R)-6,6-dichloro-3-[cyclohexyl[[[(1,1-dimethylethyl)amino]carbonyl]amino]acetyl]-N-[1-[1,2-dioxo-2-(2-propenylamino)ethyl]butyl]-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide | - |
Hepacivirus C | |
1,1-dimethylethyl [1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[1,2-dioxo-2-(2-propenylamino) ethyl]butyl]-amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate | - |
Hepacivirus C | |
1,1-dimethylethyl [2-[(1S,5R)-2(S)-[[[1-(2-amino-1,2-dioxoethyl)butyl]amino]carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]-carbamate | - |
Hepacivirus C | |
1,1-dimethylethyl[1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]-butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate | - |
Hepacivirus C | |
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[ [1-(cyclopropyl-methyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]-amino]carbonyl]-3-azabicyclo[3.1.0]-hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate | - |
Hepacivirus C | |
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[1-(cyclobutylmethyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxomethyl]amino]-2,3-dioxopropylamino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxomethyl]carbamate | - |
Hepacivirus C | |
2,2,2-trifluoro-1,1-dimethylethyl[2-[(1S,5R)-2(S)-[[[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino]-carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]carbamate | - |
Hepacivirus C | |
3-[2-(3-tert-butyl-ureido)-2-indan-2-yl-acetyl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
3-[2-(3-tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
6,6-dichloro-3-[2-cyclohexyl-2-(3-cyclohexyl-ureido)-acetyl]-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
additional information | compounds with urea cappings are more potent and selective than their carbamate counterparts | Hepacivirus C | |
SCH 503034 | - |
Hepacivirus C | |
[1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester | is the most promising of all the inhibitors. With tert-leucine as P3 residue, extremely potent with single digit nanomolar potency in enzymatic assay. Excellent selectivity against elastase. Bioavailability above 10% in rat, monkey, and dog | Hepacivirus C | |
[2-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hex-3-yl]-1-indan-2-yl-2-oxo-ethyl]-carbamic acid tert-butyl ester | - |
Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | - |
- |
- |
Synonyms | Comment | Organism |
---|---|---|
NS3 serine protease | - |
Hepacivirus C |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000007 | - |
3-[2-(3-tert-butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
0.000007 | - |
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[ [1-(cyclopropyl-methyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]-amino]carbonyl]-3-azabicyclo[3.1.0]-hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate | - |
Hepacivirus C | |
0.000009 | - |
[1-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]-carbamic acid tert-butyl ester | - |
Hepacivirus C | |
0.000009 | - |
1,1-dimethylethyl[2-[(1S,5R)-6,6-dichloro-2(S)-[[1-(cyclobutylmethyl)-3-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxomethyl]amino]-2,3-dioxopropylamino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxomethyl]carbamate | - |
Hepacivirus C | |
0.000014 | - |
SCH 503034 | - |
Hepacivirus C | |
0.000015 | - |
1,1-dimethylethyl[1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]-butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate | - |
Hepacivirus C | |
0.000015 | - |
6,6-dichloro-3-[2-cyclohexyl-2-(3-cyclohexyl-ureido)-acetyl]-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
0.00002 | - |
1,1-dimethylethyl [2-[(1S,5R)-2(S)-[[[1-(2-amino-1,2-dioxoethyl)butyl]amino]carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]-carbamate | - |
Hepacivirus C | |
0.00003 | - |
3-[2-(3-tert-butyl-ureido)-2-indan-2-yl-acetyl]-6,6-dichloro-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide | - |
Hepacivirus C | |
0.00006 | - |
[2-[2-(2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethylcarbamoyl)-6,6-dichloro-3-aza-bicyclo[3.1.0]hex-3-yl]-1-indan-2-yl-2-oxo-ethyl]-carbamic acid tert-butyl ester | - |
Hepacivirus C | |
0.000065 | - |
2,2,2-trifluoro-1,1-dimethylethyl[2-[(1S,5R)-2(S)-[[[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino]-carbonyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-cyclohexyl-2-oxoethyl]carbamate | - |
Hepacivirus C | |
0.00009 | - |
1,1-dimethylethyl [1-cyclohexyl-2-[(1S,5R)-6,6-dichloro-2(S)-[[[1-[1,2-dioxo-2-(2-propenylamino) ethyl]butyl]-amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate | - |
Hepacivirus C | |
0.0001 | - |
(1S,5R)-6,6-dichloro-3-[cyclohexyl[[[(1,1-dimethylethyl)amino]carbonyl]amino]acetyl]-N-[1-[1,2-dioxo-2-(2-propenylamino)ethyl]butyl]-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide | - |
Hepacivirus C |