Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21669 | Target Info | |||
| Target Name | Glutathione S-transferase P (GSTP1) | ||||
| Synonyms |
GSTP11; GSTP1-1; GST3; GST classpi; GST class-pi; FAEES3
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| Target Type | Clinical trial Target | ||||
| Gene Name | GSTP1 | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 16 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
ELLAGIC ACID
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Investigative | Compound Info | ||
| Synonyms |
ellagic acid; 476-66-4; Benzoaric acid; Lagistase; Eleagic acid; Alizarine Yellow; Elagostasine; 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; Ellagic acid dihydrate; Llagic acid; Acide ellagique; Acido elagico; Acidum ellagicum; C.I. 55005; Gallogen (VAN); Gallogen (astringent); C.I. 75270; Ellagate; Ellagic acid [INN:DCF]; UNII-19YRN3ZS9P; Acido elagico [INN-Spanish]; CCRIS 774; Gallogen, astringent; Acide ellagique [INN-French]; Acidum ellagicum [INN-Latin]; MLS000069632; C14H6O8; EINECS 207-508-3; NSC407286; NSC 40728
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| Activity |
IC50 = 77100 nM
|
[1] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-8-hexoxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938636; BDBM50361795
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| Activity |
IC50 = 52400 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-[(E)-3-phenylprop-2-enoxy]-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938638; BDBM50361797
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| Activity |
IC50 = 58000 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-2,3,8-trimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938632; BDBM50361814
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| Activity |
IC50 = 62700 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938631; BDBM50361813
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| Activity |
IC50 = 82500 nM
|
[2] | |||
| Compound Name |
7-(6-Hydroxyhexylsulfanyl)-2,1,3-benzoxadiazole-4-sulfonic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360538
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[(6-Hydroxyhexyl)amino]-7-nitro-2,1,3-benzooxadiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360539; SCHEMBL6049353; BDBM50038335; 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexan-1-ol
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
[(2R,3R,4Ar,8R,8aS)-2,3,8-trimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938627; BDBM50361809
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8R,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938626; BDBM50361808
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(6Ar,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938621; BDBM50361804
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8R,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-7-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938623; BDBM50361805
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
5-[1-Bromo-meth-(E)-ylidene]-3-phenyl-dihydro-furan-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL113408; BDBM50148143
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| Activity |
Ki = 123900 nM
|
[4] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-1-phenyl-butylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL441308; BDBM50088971
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| Activity |
IC50 = 155000 nM
|
[5] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938637; BDBM50361796
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|
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| Activity |
IC50 = 179000 nM
|
[2] | |||
| Compound Name |
[(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-[(4-phenylphenyl)methoxy]-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1938639; BDBM50361798
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|
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| Activity |
IC50 = 186700 nM
|
[2] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydroxy-ethylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL197468; SCHEMBL2898626; CTK8I0180; BDBM50173726; FT-0669613
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| Activity |
Ki = 187000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-[2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-succinic acid dimethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL174379; SCHEMBL1360127; BDBM50088972
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| Activity |
IC50 = 208000 nM
|
[5] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-methyl-3-oxo-pentylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL426936; BDBM50088968
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|
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| Activity |
IC50 = 217000 nM
|
[5] | |||
| Compound Name |
2-[2-(4-Amino-4-carboxybutyrylamino)-3-oxo-3-(carboxymethylamino)propylthio]succinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL177327; SCHEMBL1590300; BDBM50088966; 2-[2-(4-Amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethylsulfanyl]-succinic acid
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| Activity |
IC50 > 250000 nM
|
[5] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-isopropyl-3-oxo-butylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL174957; BDBM50088975
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|
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| Activity |
IC50 > 250000 nM
|
[5] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(4-methyl-3-oxo-1-phenyl-pentylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL369465; BDBM50088967
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| Activity |
IC50 > 250000 nM
|
[5] | |||
| Compound Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-cyclohexylsulfanyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL175098; BDBM50088973
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|
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| Activity |
IC50 > 250000 nM
|
[5] | |||
| Compound Name |
2-Amino-5-[[1-(carboxymethylamino)-3-(1,4-dioxo-1,4-dipropoxybutan-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL176946; BDBM50088970
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| Activity |
IC50 > 250000 nM
|
[5] | |||
| Compound Name |
2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-hexylsulfanyl-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL60581; BDBM50043761
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| Activity |
Ki = 550000 nM
|
[7] | |||
| Compound Name |
2-Amino-4-[2-benzylsulfanyl-1-(2-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL58451; BDBM50043759
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| Activity |
Ki = 710000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Compounds structurally related to ellagic acid show improved antiplasmodial activity. Antimicrob Agents Chemother. 2009 Feb;53(2):622-30. | ||||
| REF 2 | Inhibition of glutathione S-transferase M1 by new gabosine analogues is essential for overcoming cisplatin resistance in lung cancer cells. J Med Chem. 2011 Dec 22;54(24):8574-81. | ||||
| REF 3 | Synthesis and structure--activity relationship of new cytotoxic agents targeting human glutathione-S-transferases. Eur J Med Chem. 2015 Jan 7;89:156-71. | ||||
| REF 4 | Design, synthesis, and structure-activity relationships of haloenol lactones: site-directed and isozyme-selective glutathione S-transferase inhibitors. J Med Chem. 2004 Jun 3;47(12):3282-94. | ||||
| REF 5 | Beta-carbonyl substituted glutathione conjugates as inhibitors Of O. volvulus GST2. Bioorg Med Chem Lett. 2000 May 1;10(9):979-81. | ||||
| REF 6 | Molecular modeling, synthesis, and preliminary biological evaluation of glutathione-S-transferase inhibitors as potential therapeutic agents. J Med Chem. 2005 Sep 22;48(19):6084-9. | ||||
| REF 7 | Isozyme-specific glutathione-S-transferase inhibitors: design and synthesis. J Med Chem. 1994 Jan 7;37(1):189-94. | ||||
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