Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42881 | Target Info | |||
| Target Name | Cytomegalovirus Protease (CMV UL80) | ||||
| Synonyms |
UL80; Capsid protein P40; Assemblin
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|
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| Target Type | Patented-recorded Target | ||||
| Gene Name | CMV UL80 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 30 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-((2R,3R)-1-Benzylcarbamoyl-3-ethyl-4-oxo-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL305708; CTK6B1635; BDBM50070013; 4-[(2R,3R)-1-(benzylcarbamoyl)-3-ethyl-4-oxo-azetidin-2-yl]oxybenzoic acid; 4-{[(2r,3r)-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
4-Acetyl-1-(1-benzoyl-pyrrolidine-2-carbonyl)-6-methyl-hexahydro-cyclopenta[b]pyrrol-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298136; BDBM50107918
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|
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
1-Acetyl-3-methyl-4-(2-phenoxy-acetyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51153; BDBM50107928
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|
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| Activity |
IC50 = 63000 nM
|
[2] | |||
| Compound Name |
(3S,3Ar,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(3-isopropoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL301715; BDBM50107906
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|
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| Activity |
IC50 = 65000 nM
|
[3] | |||
| Compound Name |
Acetic acid (R)-1-butylcarbamoyl-4-oxo-azetidin-2-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL124107; CTK6E2780; BDBM50070016; (2r)-1-(butylcarbamoyl)-4-oxoazetidin-2-yl acetate; [(2R)-1-(butylcarbamoyl)-4-oxo-azetidin-2-yl] acetate
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|
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| Activity |
IC50 = 68000 nM
|
[1] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-4-[(2S,3R)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL297341; SCHEMBL7511361; CTK5J1487; BDBM50114891
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|
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| Activity |
IC50 = 72000 nM
|
[4] | |||
| Compound Name |
Benzyl (3aS,6S)-4-[(2S,3R)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2115030
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| Activity |
IC50 = 72000 nM
|
[2] | |||
| Compound Name |
Tert-butyl 2-[4-[[4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-2-yl]sulfanylmethyl]phenyl]acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL288793; BDBM50070434; tert-Butyl 2-[4-({1-[N-((1R)-1-phenylethyl)carbamoyl]-4-oxoazetidin-2-ylthio}methyl)phenyl]acetate
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| Activity |
IC50 = 75000 nM
|
[5] | |||
| Compound Name |
1-Acetyl-3-methyl-4-(2-oxo-3-phenyl-propyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298960; BDBM50107916
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|
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| Activity |
IC50 = 79000 nM
|
[2] | |||
| Compound Name |
Benzyl (3aS,6S)-4-acetyl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50073; BDBM50107934
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|
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| Activity |
IC50 = 79000 nM
|
[2] | |||
| Compound Name |
[(2R,3R)-3-Methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL123589; Acetic acid (2R,3R)-3-methyl-4-oxo-1-phenylcarbamoyl-azetidin-2-yl ester; CTK5J1836; BDBM50070020; (2r,3r)-3-methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl acetate
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|
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| Activity |
IC50 = 86000 nM
|
[1] | |||
| Compound Name |
N-[2-[(3Ar,6R,6aS)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxoethyl]-5-(dimethylamino)-N-methylnaphthalene-1-sulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL299204; BDBM50107935
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-((2R,3S)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL120853; CTK7G2422; BDBM50070017; 4-[(2R,3S)-1-(benzylcarbamoyl)-3-methyl-4-oxo-azetidin-2-yl]oxybenzoic acid; 4-{[(2r,3s)-1-(benzylcarbamoyl)-3-methyl-4-oxoazetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
[(2R,3S)-3-Methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl] acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL123455; Acetic acid (2R,3S)-3-methyl-4-oxo-1-phenylcarbamoyl-azetidin-2-yl ester; CTK5J1490; BDBM50070015; (2r,3s)-3-methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl acetate
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-((R)-1-Benzylcarbamoyl-4-oxo-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL332366; CTK7H1043; BDBM50070026; 4-[(2R)-1-(benzylcarbamoyl)-4-oxo-azetidin-2-yl]oxybenzoic acid; 4-{[(2r)-1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Acetic acid (R)-1-isopropylcarbamoyl-4-oxo-azetidin-2-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL122071; CTK6B0041; BDBM50070018; (2r)-4-oxo-1-(propan-2-ylcarbamoyl)azetidin-2-yl acetate; [(2R)-1-(isopropylcarbamoyl)-4-oxo-azetidin-2-yl] acetate
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(3S,3Ar,6aS)-4-[(S)-1-(5-Dimethylamino-naphthalene-1-sulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-1-(2,2,3,3-tetramethyl-cyclopropanecarbonyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL47429; BDBM50114894
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Acetic acid (R)-1-ethylcarbamoyl-4-oxo-azetidin-2-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL122963; CTK6F2046; BDBM50070019; (2r)-1-(ethylcarbamoyl)-4-oxoazetidin-2-yl acetate; [(2R)-1-(ethylcarbamoyl)-4-oxo-azetidin-2-yl] acetate
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Acetic acid (R)-1-benzylcarbamoyl-3,3-dimethyl-4-oxo-azetidin-2-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL123457; CTK7G2424; BDBM50070007; (2r)-1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl acetate; [(2R)-1-(benzylcarbamoyl)-3,3-dimethyl-4-oxo-azetidin-2-yl] acetate
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-((R)-1-Isopropylcarbamoyl-4-oxo-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL333117; CTK6B0042; BDBM50070008; 4-[(2R)-1-(isopropylcarbamoyl)-4-oxo-azetidin-2-yl]oxybenzoic acid; 4-{[(2r)-4-oxo-1-(propan-2-ylcarbamoyl)azetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
4-((R)-4-Oxo-1-phenylcarbamoyl-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL334176; CTK7H1042; 4-[(2R)-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl]oxybenzoic acid; BDBM50070023; 4-{[(2r)-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Benzyl (3aS,6S)-4-[(2S,3S)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2115461; BDBM50409485
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Acetic acid (R)-3,3-diethyl-1-methylcarbamoyl-4-oxo-azetidin-2-yl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL122731; CTK6I4395; BDBM50070021; (2r)-3,3-diethyl-1-(methylcarbamoyl)-4-oxoazetidin-2-yl acetate; [(2R)-3,3-diethyl-1-(methylcarbamoyl)-4-oxo-azetidin-2-yl] acetate
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
4-((2R,3S)-1-Benzylcarbamoyl-3-ethyl-4-oxo-azetidin-2-yloxy)-benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL74483; CTK6B1561; BDBM50070025; 4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-4-oxo-azetidin-2-yl]oxybenzoic acid; 4-{[(2r,3s)-1-(benzylcarbamoyl)-3-ethyl-4-oxoazetidin-2-yl]oxy}benzoic acid
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(2R,3S)-N-Benzyl-2-[4-(2,2-dimethylpropanoyl)phenoxy]-3-methyl-4-oxoazetidine-1-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL331459; BDBM50070022
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Benzyl 4-acetyl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL300717; Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, 4-acetylhexahydro-6-methyl-5-oxo-, phenylmethyl ester; CTK7G2973; BDBM50107908
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|
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| Activity |
IC50 = 110000 nM
|
[2] | |||
| Compound Name |
4-Isobutyryl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298633; BDBM50107924
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|
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| Activity |
IC50 = 126000 nM
|
[2] | |||
| Compound Name |
4-(3-Hydroxy-propionyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51822; BDBM50107943
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|
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| Activity |
IC50 = 133000 nM
|
[2] | |||
| Compound Name |
(3S,3Ar,6aS)-3-Methyl-2-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1,4-dicarboxylic acid 4-benzyl ester 1-methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298170; BDBM50114889
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|
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| Activity |
IC50 = 148000 nM
|
[4] | |||
| Compound Name |
(3Ar,6R,6aS)-1-(1-Tosylprolyl)-4-acetyl-5-oxo-6-methyloctahydropyrrolo[3,2-b]pyrrole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL301090; BDBM50107917
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|
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| Activity |
IC50 = 159000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 19 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3As,6S,6aR)-4-Benzylcarbamoyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL46944; BDBM50114902
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|
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| Activity |
IC50 = 250000 nM
|
[4] | |||
| Compound Name |
{(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL32936; BDBM50070450
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|
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| Activity |
IC50 > 300000 nM
|
[5] | |||
| Compound Name |
4-Formyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51006; BDBM50107929
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|
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| Activity |
IC50 = 398000 nM
|
[2] | |||
| Compound Name |
(3As,6S,6aR)-6-Methyl-4-methylcarbamoyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL300091; BDBM50114890
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|
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| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
4-(4-Methoxy-benzoyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50738; BDBM50107927
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-4-dimethoxyphosphoryl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL48562; BDBM50114895
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|
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| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
(3As,6S,6aR)-6-Methyl-5-oxo-4-thiazol-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL49731
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|
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| Activity |
IC50 ~ 500000 nM
|
[4] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-6-methyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL431158
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|
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| Activity |
IC50 ~ 500000 nM
|
[4] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-6-methyl-4-(4-nitrophenyl)-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL49788
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| Activity |
IC50 ~ 500000 nM
|
[4] | |||
| Compound Name |
4-(2,2-Dimethyl-propionyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50036; BDBM50107926
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
Benzyl (3aS,6aR)-4-acetyl-6,6-dimethyl-5-oxo-2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL47226; BDBM50114896
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|
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| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-6-methyl-5-oxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL296301; BDBM50114899
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|
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| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
6-Methyl-5-oxo-4-(2,2,3,3-tetramethyl-cyclopropanecarbonyl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51210; BDBM50107907
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-4-(2,2-dimethylpropanoyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL298789; BDBM50114888
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|
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| Activity |
IC50 > 500000 nM
|
[4] | |||
| Compound Name |
4-(2-Hydroxy-3-phenoxy-propyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL300679; BDBM50107919
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
(3Ar,6R,6aS)-4-acetyl-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]-6-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50778; BDBM50107938
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
(3Ar,6R,6aS)-4-acetyl-1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50828; BDBM50107944
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|
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| Activity |
IC50 > 500000 nM
|
[2] | |||
| Compound Name |
Benzyl (3aS,6S,6aR)-4-(2,4-dinitrophenyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL50373
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|
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| Activity |
IC50 ~ 500000 nM
|
[4] | |||
| Compound Name |
4-Acetyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL423120; BDBM50107921
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|
||||
| Activity |
IC50 > 1000000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 1 | Design and synthesis of monocyclic beta-lactams as mechanism-based inhibitors of human cytomegalovirus protease. Bioorg Med Chem Lett. 1998 Feb 17;8(4):365-70. | ||||
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| REF 3 | Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability. J Med Chem. 2003 Oct 9;46(21):4428-49. | ||||
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| REF 5 | Inhibition of human cytomegalovirus protease N(o) with monocyclic beta-lactams. Bioorg Med Chem Lett. 1998 Jun 2;8(11):1437-42. | ||||
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