Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88285 | Target Info | |||
| Target Name | Lactoylglutathione lyase (GLO1) | ||||
| Synonyms |
S-D-lactoylglutathione methylglyoxal lyase; Methylglyoxalase; Ketone-aldehyde mutase; Glyoxalase I; GlxI; Glx I; GLO1; Aldoketomutase
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| Target Type | Clinical trial Target | ||||
| Gene Name | GLO1 | ||||
| Biochemical Class | Carbon-sulfur lyases | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Sulindac
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Approved | Compound Info | ||
| Synonyms |
Aclin; Aflodac; Arthrobid; Arthrocine; Chibret; Clinoril; Copal; Copals; Kenalin; Klinoril; Mobilin; Sulindaco; Sulindacum; Sulindal; Alphapharm Brand of Sulindac; Apo Sulin; Apotex Brand of Sulindac; Cahill May Roberts Brand of Sulindac; Chemia Brand of Sulindac; Copal resin; Copal rosin varnish; Gum copal; KendrickBrand of Sulindac; Merck Brand of Sulindac; Novo Sundac; Novopharm Brand of Sulindac; Nu Pharm Brand of Sulindac; Nu Sulindac; Resin copal; Sulindac sulfoxide; MK 231; MK231; S 8139; Apo-Sulin; Clinoril (TN); MK-231; Merck Sharp & Dohme Brand of Sulindac; Novo-Sundac; Nu-Pharm Brand of Sulindac; Nu-Sulindac; Sulindaco [INN-Spanish]; Sulindacum [INN-Latin]; Sulindac (JAN/USP/INN); Sulindac [USAN:BAN:INN:JAN]; Z-5-Fluoro-2-methyl-1-[p-(methlsulfinyl)benzylidene]indene-3-acetic acid; Cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid; {5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1h-inden-3-yl}acetic acid; Cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid; [(1E)-5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid; {(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid; {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid; (E)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-[[4-(methyl-sulfinyl)phenyl]methylene]-1H-indene-3-acetic acid; (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid; 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid; 5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
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| Activity |
Ki = 77900 nM
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[1] | |||
| Compound Name |
Tolmetin
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Approved | Compound Info | ||
| Synonyms |
Tolectin; Tolmetina; Tolmetine; Tolmetino; Tolmetinum; Tolmetina [DCIT]; MCN 2559; McN-2559; Tolectin (TN); Tolmetin Sodium, Dihydrate; Tolmetine [INN-French]; Tolmetino [INN-Spanish]; Tolmetinum [INN-Latin]; Tolmetin (USAN/INN); Tolmetin [USAN:BAN:INN]; Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico; Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico [Spanish]; 1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid; 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid; 1-Methyl-5-p-toluoylpyrrole-2-acetic acid; 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid; 5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid
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| Activity |
Ki = 87800 nM
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[2] | |||
| Compound Name |
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1910549; CBDivE_002824; CTK7A2006; ZINC3148790; BDBM50355548; STL307203; AKOS002217866; CCG-298210; MCULE-8579360696; NE58808; ST50134026; EN300-04055; Z56858209; 2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
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| Activity |
IC50 = 54600 nM
|
[3] | |||
| Compound Name |
Ethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1669737; NSC637307; ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate; SCHEMBL6137188; ZINC4579482; Ethyl 3- nitrobenzylidenacetoacetate; BDBM50336267; STK397095; AKOS000652869; NSC-637307; ST50226039; (Z)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate; ethyl (2Z)-2-(3-nitrobenzylidene)-3-oxobutanoate; ethyl (2Z)-2-acetyl-3-(3-nitrophenyl)prop-2-enoate; (Z)-2-Acetyl-3-(3-nitrophenyl)acrylic acid ethyl ester
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| Activity |
Ki = 65000 nM
|
[1] | |||
| Compound Name |
2-Amino-3-[[hydroxy(methyl)carbamoyl]sulfanylmethyl]butanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160346
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| Activity |
Ki = 68000 nM
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[4] | |||
| Compound Name |
2,4-Pentanedione, 3-(m-nitrobenzylidene)-
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Investigative | Compound Info | ||
| Synonyms |
3-(3-nitrobenzylidene)pentane-2,4-dione; 3-(m-Nitrobenzylidene)acetylacetone; 3-(3-Nitrobenzylidene)acetylacetone; CHEMBL1669733; NSC637179; 3-[(3-nitrophenyl)methylene]pentane-2,4-dione; NSC 46599; 3-(m-Nitrobenzal) 2,4-pentanedione; BRN 2054358; 3-[(3-nitrophenyl)methylidene]pentane-2,4-dione; NSC46599; 0-07-00-00706 (Beilstein Handbook Reference); 2, 3-(m-nitrobenzylidene)-; SCHEMBL8028846; ZINC14900; DTXSID90183457; 2, 3-[(3-nitrophenyl)methylene]-; BDBM50336263; NSC-46599; STL199240; AKOS003808137; 1-acetyl-1-(3-nitrobenzyliden)acetone; MCULE-2305046379; NSC-637179; DS-003641; ST45113059; 2,4-Pentanedione,3-[(3-nitrophenyl)methylene]-; 2,4-Pentanedione, 3-((3-nitrophenyl)methylene)- (9CI); 3-(3-(Hydroxy(oxido)amino)benzylidene)-2,4-pentanedione
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| Activity |
Ki = 91000 nM
|
[1] | |||
| Compound Name |
2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL164263; NSC688518; NSC-688518; NCI60_031957
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| Activity |
Ki = 92900 nM
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[5] | |||
| Compound Name |
2-[(4-Methoxybenzoyl)amino]benzoic Acid
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Investigative | Compound Info | ||
| Synonyms |
2-(4-Methoxybenzamido)Benzoic Acid; KUC106458N; KSC-20-006; 2-[(4-methoxyphenyl)carbonylamino]benzoic acid; N-anisoylanthranilic acid; Benzoic acid,2-[(4-methoxybenzoyl)amino]-; 2-[(4-METHOXYBENZOYL)AMINO]BENZOICACID; Oprea1_760247; 2-(p-anisoylamino)benzoic acid; cid_721421; CHEMBL1701911; SCHEMBL14338416; BDBM62042; CTK4H2370; DTXSID40352237; ZINC123860; SBB015153; 2-(4-Methoxybenzoylamino)benzoic acid; AKOS001061742; MCULE-2676943629; NE23262; ST50182011; EN300-08632; SR-01000575893; 2-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid; J-507595; SR-01000575893-1; F0916-7821
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| Activity |
IC50 = 93200 nM
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[3] | |||
| Compound Name |
Zomepirac
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Investigative | Compound Info | ||
| Synonyms |
5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid; Zomepiracum [INN-Latin]; [5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid; UNII-822G987U9J; 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid; CHEMBL19490; 822G987U9J; 1,4-Dimethyl-5-p-chlorobenzoylpyrrole-2-acetic acid; Zomepiracum; Zomepirac [INN:BAN]; NCGC00094811-01; EINECS 251-474-2; SR-05000001739; {5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid; Spectrum_000306; Prestwick0_000779; Prestwick1_000779; Prestwick2_000779; Prestwick3_000779; Spectrum2_000955; Spectrum3_000589; Spectrum4_000383; Spectrum5_001427; SCHEMBL25735; BSPBio_000858; BSPBio_002038; KBioGR_000905; KBioSS_000786; DivK1c_000953; SPECTRUM1500615; SPBio_000950; SPBio_002797; BPBio1_000944; DTXSID9023754; CTK1C3650; HMS502P15; KBio1_000953; KBio2_000786; KBio2_003354; KBio2_005922; KBio3_001538; ZINC57537; Zomepirac; AIF; CE0; CorrDec; NINDS_000953; HMS1921K11; HMS2092E04; Pharmakon1600-01500615; 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-; 2-(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetic acid; BDBM50027952; CCG-39056; NSC757379; DB04828; NSC-757379; IDI1_000953; NCGC00094811-02; NCGC00094811-03; NCGC00094811-04; DA-06775; SBI-0051557.P002; FT-0708860; AB00052126_03; Q4024685; SR-05000001739-1; BRD-K81326768-001-02-4; BRD-K81326768-236-03-4; 5-(p-chlorobenzoyl)-1,4-dimethyl-pyrrole-2-acetic acid; 5-(p-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid; 5-(rho-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid; 1H-Pyrrole-2-aceticacid, 5-(4-chlorobenzoyl)-1,4-dimethyl-
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| Activity |
Ki = 107000 nM
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[1] | |||
| Compound Name |
2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL164262; NSC688517; NSC-688517; NCI60_031956
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| Activity |
IC50 = 140500 nM
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[5] | |||
| Compound Name |
Ethyl (2Z)-2-[(4-nitrophenyl)methylidene]-3-oxobutanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1669736; NSC637310; SCHEMBL9296584; ZINC4790566; BDBM50336266; NSC-637310; ethyl 2-(4-nitrobenzylidene)-3-oxobutanoate; Ethyl 2Z-[(4-nitrophenyl)methylene]-3-oxobutanoate; 2-[(Z)-4-Nitrobenzylidene]acetoacetic acid ethyl ester
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| Activity |
Ki = 159000 nM
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[1] | |||
| Compound Name |
S-(N-Hydroxycarbamoyl)glutathione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL419969; SCHEMBL3281013; BDBM50092828; L-gammaGlu-S-(N-Hydroxycarbamoyl)-L-Cys-Gly-OH
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| Activity |
Ki = 183000 nM
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[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 60 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Fenoprofen
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Approved | Compound Info | ||
| Synonyms |
Fenoprofene; Fenoprofeno; Fenoprofenum; Feprona; Nalfon; Nalgesic; Feneprofen calcium salt dihydrate; Fenoprofen calcium; Fenoprofen calcium hydrate; Lilly 53838; Fenoprofen Dihydrate, Calcium Salt; Fenoprofene [INN-French]; Fenoprofeno [INN-Spanish]; Fenoprofenum [INN-Latin]; Fenopron (TN); Fenoprofen (USAN/INN); Fenoprofen [USAN:BAN:INN]; Alpha-(m-phenoxyphenyl)propionic acid; Alpha-Methyl-3-phenoxybenzeneacetic acid; (+-)-2-(3-Phenoxyphenyl)propionic acid; (+-)-m-Phenoxyhydratropic acid; 2-(3-Phenoxyphenyl)propanoic acid; 2-(3-Phenoxyphenyl)propionic acid; 2-(m-phenoxyphenyl)propionic acid; 2-[3-(phenyloxy)phenyl]propanoic acid
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| Activity |
Ki = 383000 nM
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[2] | |||
| Compound Name |
Ketoprofen
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Approved | Compound Info | ||
| Synonyms |
Actron; Alrheumat; Alrheumum; Alrheumun; Aneol; Capisten; Dexal; Epatec; Fastum; Kefenid; Ketoprofene; Ketoprofeno; Ketoprofenum; Ketopron; Ketoprophene; Lertus; Menamin; Meprofen; Orudis; Orugesic; Oruvail; Oscorel; Profenid; Toprec; Toprek; Benzoylhydratropic Acid; Orudis KT; K 1751; RP 19583; RP19583; RU 4733; Arthril (TN); Fastum (TN); Fastum Gel (TN); Iso-K; Keto (TN); Ketoflam (TN); Ketomex (TN); Ketonal (TN); Ketoprofenas (TN); Ketoprofene (TN); Ketoprofene [INN-French]; Ketoprofeno [INN-Spanish]; Ketoprofenum (TN); Ketoprofenum [INN-Latin]; Ketorin (TN); Ketospray (TN); Lasonil (TN); M-Benzoylhydratropic acid; Oki (TN); Orudis (TN); Oruvail (TN); RP-19583; Racemic-Ketoprofen; Zon (TN); Bi-Profnid (TN); RP, 19,583; Ketoprofen (JP15/USP/INN); Ketoprofen [USAN:INN:BAN:JAN]; Orudis, Oruvail, Ketoflam, Orudis KT, Ketoprofen; Acide (benzoyl-3-phenyl)-2-propionique; Acide (benzoyl-3-phenyl)-2-propionique [French]; L'Acide (benzoyl-3-phenyl)-2-propionique; (+-)-m-Benzoylhydratropic acid; 2-(3-Benzoylphenyl)propanoic acid; 2-(3-Benzoylphenyl)propionic acid; 2-(m-Benzoylphenyl)propionic acid; 2-[3-(benzoyl)phenyl]propanoic acid; 2-[3-(phenylcarbonyl)phenyl]propanoic acid; 2-[3-Benzoylphenyl]propionic acid; 3-Benzoylhydratropic acid
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| Activity |
Ki = 414000 nM
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[1] | |||
| Compound Name |
Glutathione
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Approved | Compound Info | ||
| Synonyms |
glutathione; 70-18-8; Glutathion; Isethion; Tathion; Glutathione-SH; Glutinal; reduced glutathione; Neuthion; Deltathione; Copren; L-Glutathione reduced; Glutide; Tathione; Triptide; Ledac; Glutatione; GSH; Glutatiol; Panaron; gamma-L-Glutamyl-L-cysteinylglycine; Glutathione SH; L-Glutatione; Glutathione (reduced); Agifutol S; L-gamma-glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; 5-L-Glutamyl-L-cysteinylglycine; Glutathione [JAN]; glutathione red; gamma-L-Glutamylcysteinylglycine; red. glutathione
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| Activity |
Ki = 1.05E+12 nM
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[7] | |||
| Compound Name |
Flavonoid derivative 4
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Patented | Compound Info | ||
| Synonyms |
PMID26394986-Compound-48
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| Activity |
Ki = 6.61E+13 nM
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[7] | |||
| Compound Name |
CHRYSIN
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Investigative | Compound Info | ||
| Synonyms |
chrysin; 480-40-0; 5,7-Dihydroxyflavone; Chrysine; 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one; Crysin; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; UNII-3CN01F5ZJ5; NSC-407436; FLAVONE, 5,7-DIHYDROXY-; EINECS 207-549-7; NSC407436; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; CHEMBL117; NSC 407436; 5,7-Dihydroxy-2-phenyl-chromen-4-one; BRN 0233276; 3CN01F5ZJ5; CHEBI:75095; RTIXKCRFFJGDFG-UHFFFAOYSA-N; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; MFCD00006834; Chrysin, 99+%; CAS-480-40-0
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| Activity |
Ki = 1.20E+13 nM
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[7] | |||
| Compound Name |
MORIN
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Investigative | Compound Info | ||
| Synonyms |
morin; 480-16-0; Aurantica; Calico Yellow; Al-Morin; Toxylon Pomiferum; Morin hydrate; 2',3,4',5,7-Pentahydroxyflavone; 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; Bois d,Arc; Osage Orange; Osage Orange Extract; Bois d'arc; C.I. Natural Yellow 11; C.I. Natural Yellow 8; Osage Orange Crystals; 3,5,7,2',4'-Pentahydroxyflavone; 3,5,7,2',4'-Pentahydroxyflavonol; 2'-Hydroxypelargidenolon 1522; 2',4',3,5,7-Pentahydroxyflavone; C.I. 75660; Zlut prirodni 11; 2',4',5,7-Tetrahydroxyflavan-3-ol; Bois d'arc [French]
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| Activity |
Ki = 3.31E+13 nM
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[7] | |||
| Compound Name |
3,7,3',4'-TETRAHYDROXYFLAVONE
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Investigative | Compound Info | ||
| Synonyms |
Fisetin; 528-48-3; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one; 5-Desoxyquercetin; Fustel; Cotinin; Viset; 3,3',4',7-Tetrahydroxyflavone; Fisetholz; Superfustel; Fustet; Fietin; Junger fustik; 3,7,3',4'-Tetrahydroxyflavone; Ventin sumach; Zante fustic; Young fustic; Superfustel K; Ungarisches gelbholz; CI Natural Brown 1; Young fustic crystals; Bois bleu de Honqrie; BOIS bleude honqrie; CI 75620; NSC 407010; NSC 656275; 5-Deoxyquercetin; 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one; Natural Brown 1; FISETIN
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| Activity |
Ki = 7.59E+13 nM
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[7] | |||
| Compound Name |
3-[(4-Methoxyphenyl)methylidene]pentane-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1669732; 3-(4-methoxybenzylidene)pentane-2,4-dione; 3-(4-Methoxybenzylidene)-2,4-pentanedione; NSC637168; NSC46596; SCHEMBL8038651; ZINC14895; DTXSID80286587; BDBM50336262; NSC-46596; NSC-637168; 3-[(4-methoxyphenyl)methylene]pentane-2,4-dione; 2,4-pentanedione, 3-[(4-methoxyphenyl)methylene]-
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| Activity |
Ki = 383000 nM
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[1] | |||
| Compound Name |
Ethyl ferulate
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Investigative | Compound Info | ||
| Synonyms |
Ferulic acid ethyl ester; Ethyl 4'-hydroxy-3'-methoxycinnamate; ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate; (E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate; Ethyl 4-hydroxy-3-methoxycinnamate; UNII-5B8915UELW; Ethyl (2e)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enoate; MFCD00009190; ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 5B8915UELW; CHEMBL286796; Ethyl 4-hydroxy-3-methoxycinnamate (Ferulic acid ethyl ester); Ethyl (E)-ferulate; Ferulic acid, ethyl ester; EINECS 223-745-5; 3-Methoxy-4-hydroxycinnamic acid ethyl ester; PubChem8150; AI3-23714; (E)-3-(4-Hydroxy-3-methoxy-phenyl)-acrylic acid ethyl ester; HMS3885K08; ZINC160496; BCP15347; HY-N0061; NSC14879; BDBM50297424; NSC-14879; s3855; SBB059572; AKOS015889646; AKOS025310714; CCG-207901; DB11285; LS10207; PS-4365; ethyl (E)-4-hydroxy-3-methoxycinnamate; BR-72780; Ethyl 4-hydroxy-3-methoxycinnamate, 98%; AB0068950; CS-0007109; N2444; ST51044520; A14820; M-1940; 046F020; A825117; ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate; Q27261780; Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate; ethyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid ethyl ester
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| Activity |
Ki = 385000 nM
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[1] | |||
| Compound Name |
(3-Nitrobenzylidene)propanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1669735; 2-(3-Nitrobenzylidene)Malonic Acid; CBDivE_014563; 2-[(3-nitrophenyl)methylidene]propanedioic acid; 3-nitrocarboxycinnamic acid; SCHEMBL6177870; (3-Nitrobenzylidene)malonic acid; CTK1I6148; DTXSID20400801; ZINC188648; BDBM50336265; STK038170; AKOS005382358; MCULE-6310309945; ST50991614; 2-[(3-nitrophenyl)methylene]propanedioic acid; Propanedioic acid, [(3-nitrophenyl)methylene]-
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| Activity |
Ki = 426000 nM
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[1] | |||
| Compound Name |
S-(N-Methyl-N-hydroxycarbomyl)glutathione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL68824; BDBM50039115
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| Activity |
Ki = 680000 nM
|
[4] | |||
| Compound Name |
3-(4-Fluorophenyl)-2-propenamide
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Investigative | Compound Info | ||
| Synonyms |
3-(4-Fluorophenyl)Acrylamide; CHEMBL1669739; (E)-3-(4-fluorophenyl)acrylamide; (E)-3-(4-fluorophenyl)prop-2-enamide; ZINC512755; BDBM50336270; AKOS003421243; (E)-3-(4-fluoropheyl)-2-propenamide; (E)-3-(4-fluorophenyl)-2-propenamide; (2E)-3-(4-fluorophenyl)prop-2-enamide; ST51015752; 2-Propenamide, 3-(4-fluorophenyl)-, (2E)-; J-005490; 3-(4-Fluorophenyl)-2-propenamide, 97%, predominantly trans
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| Activity |
Ki = 1394000 nM
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[1] | |||
| Compound Name |
2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL161181; NSC688519; NSC-688519; NCI60_031958
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| Activity |
IC50 = 1624600 nM
|
[5] | |||
| Compound Name |
Methyl 4-fluorocinnamate
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Investigative | Compound Info | ||
| Synonyms |
Methyl 3-(4-Fluorophenyl)Acrylate; (E)-METHYL 3-(4-FLUOROPHENYL)ACRYLATE; (E)-Methyl-3-(4-fluorophenyl)acrylate; CHEMBL1669711; Methyl 4-fluorocinnamate, predominantly trans; methyl (E)-3-(4-fluorophenyl)prop-2-enoate; methyl (2E)-3-(4-fluorophenyl)prop-2-enoate; methyl p-fluorocinnamate; 4-Fluorocinnamic acid methyl ester; ZINC567266; ALBB-029437; 7403AH; BDBM50336269; MFCD00297011; AKOS003202325; methyl(e)-3-(4-fluorophenyl)acrylate; Methyl 4-fluorocinnamate,97%,predomin; 4-Fluorobenzeneacrylic acid methyl ester; AS-10511; CS-0037956; ST51015769; methyl (2E)-3-(4-fluorophenyl)-2-propenoate; Methyl 4-fluorocinnamate, predominantly trans, 97%
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| Activity |
Ki = 1907000 nM
|
[1] | |||
| Compound Name |
2-Amino-3-(propanoylsulfanylmethyl)butanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160345
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| Activity |
Ki = 1980000 nM
|
[4] | |||
| Compound Name |
2-Amino-3-[[(2R)-2-hydroxypropanoyl]sulfanylmethyl]butanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160348
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| Activity |
Ki = 2230000 nM
|
[4] | |||
| Compound Name |
2-Azaniumyl-4-ethoxy-3-[[(2R)-2-hydroxypropanoyl]sulfanylmethyl]-4-oxobutanoate
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Investigative | Compound Info | ||
| Synonyms |
S-D-Lactoylethylglutathione; CHEMBL68031; BDBM50039116
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| Activity |
Ki = 3160000 nM
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[4] | |||
| Compound Name |
S-Benzyl 2-hydroxypropanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277441; NSC191966; DTXSID10307537; BDBM50016878; NSC-191966; 2-hydroxy-propanethioic acid S-benzyl ester; Propanethioic acid, 2-hydroxy-, S-(phenylmethyl) ester
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| Activity |
Ki = 5500000 nM
|
[8] | |||
| Compound Name |
2-Amino-3-(methylcarbamoylsulfanylmethyl)butanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160351
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| Activity |
Ki = 5670000 nM
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[4] | |||
| Compound Name |
S-Benzyl 2-hydroxy-2-phenylethanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277443; NSC221573; DTXSID80310018; BDBM50016880; NSC-221573; Hydroxyphenylthioacetic acid S-benzyl ester
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| Activity |
Ki = 6300000 nM
|
[8] | |||
| Compound Name |
Methyl 2-(2-hydroxy-2-phenylacetyl)sulfanylacetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277444; NSC221574; DTXSID40310019; BDBM50016889; NSC-221574
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| Activity |
Ki = 8200000 nM
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[8] | |||
| Compound Name |
S-Butyl 2-hydroxypropanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277440; NSC191965; DTXSID50307536; BDBM50016877; NSC-191965
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| Activity |
Ki = 12900000 nM
|
[8] | |||
| Compound Name |
S-Butyl 2-hydroxy-2-phenylethanethioate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277442; NSC238141; DTXSID30311111; BDBM50016879; NSC-238141
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| Activity |
Ki = 29600000 nM
|
[8] | |||
| Compound Name |
Butyl 2-(2-hydroxy-2-phenyl-acetyl)sulfanylacetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277445; NSC238139; CTK5B9998; DTXSID60311109; BDBM50016893; NSC-238139
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| Activity |
Ki = 34700000 nM
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[8] | |||
| Compound Name |
Methyl 3-(2-hydroxy-2-phenyl-acetyl)sulfanylpropanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3277446; NSC238140; CTK5B9999; DTXSID70311110; BDBM50016896; NSC-238140
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| Activity |
Ki = 38600000 nM
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[8] | |||
| Compound Name |
S-Methylglutathione
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Investigative | Compound Info | ||
| Synonyms |
S-Methyl glutathione; Glutathione ester; S-METHYL-GLUTATHIONE; Glutathione S-methyl ester; L-gamma-Glutamyl-S-methyl-L-cysteinylglycine; UNII-OOW3025SR1; S-Methyl GSH; OOW3025SR1; L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE; N5-((R)-1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)-L-glutamine; SCHEMBL1767370; CHEMBL1233129; Glycine, N-(N-L-gamma-glutamyl-S-methyl-L-cysteinyl)-; CTK4G2973; DTXSID10183479; BDBM225232; ZINC1532230; CS-W009893; DB04701; HY-W009177; Glycine, L-g-glutamyl-S-methyl-L-cysteinyl-; C11347; Glycine, L-gamma-glutamyl-S-methyl-L-cysteinyl-; SR-01000884011; SR-01000884011-1; Q27095444
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| Activity |
Ki = 2.40E+11 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[(2S)-1-(carboxymethylamino)-3-ethylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2372135; BDBM50227421
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| Activity |
Ki = 2.09E+12 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[3-[2-(4-aminophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL282188; BDBM50227454
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| Activity |
Ki = 2.29E+12 nM
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[7] | |||
| Compound Name |
5-[[3-[(4-Bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL282132; BDBM50227439
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| Activity |
Ki = 3.72E+12 nM
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[7] | |||
| Compound Name |
Maltol
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Investigative | Compound Info | ||
| Synonyms |
3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-4H-pyran-4-one; Larixinic acid; Talmon; Palatone; Vetol; Larixic acid; Corps praline; 4H-Pyran-4-one, 3-hydroxy-2-methyl-; 2-Methyl pyromeconic acid; 3-hydroxy-2-methylpyran-4-one; Veltol; 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; Maltol (natural); 3-Hydroxy-2-methyl-gamma-pyrone; 2-Methyl-3-oxy-gamma-pyrone; 2-Methylpyromeconic acid; 3-Hydroxy-2-methylpyrone; 3-Hydroxy-2-methyl-pyran-4-one; MFCD00006578; FEMA No. 2656; 3-Hydroxy-2-methyl-4-pyranone; NSC 2829; UNII-3A9RD92BS4; 2-methyl-3-hydroxy-4-pyranone; NSC2829; 3-Hydroxy-2-methyl-1,4-pyrone; 3-Hydroxy-2-methyl-.gamma.-pyrone; MLS000069412; 3A9RD92BS4; NSC-2829; 3-Hydroxy-2-methyl-4-pyrone, 99%; 5-Hydroxy-6-methyl-4H-pyran-4-one; NSC-404458; SMR000059093; DSSTox_CID_5523; DSSTox_RID_77818; DSSTox_GSID_25523; WLN: T6O DVJ B1 CQ; Maltol [NF]; CCRIS 3467; EINECS 204-271-8; BRN 0112169; Methylmaltol; methyl maltol; Laricinic acid; AI3-18547; Maltol FCC IV; NATURAL MALTOL; Spectrum_001419; ACMC-1BSCT; Opera_ID_338; SpecPlus_000443; Spectrum2_001795; Spectrum3_001351; Spectrum4_001871; Spectrum5_000462; bmse000538; Maltol, analytical standard; SCHEMBL4815; 3-Hydroxy-2-pyran-4-one; BSPBio_003161; KBioGR_002365; KBioSS_001899; SPECTRUM310025; 5-18-01-00114 (Beilstein Handbook Reference); KSC496O7D; MLS001424145; MLS002415738; 3-Hydroxy-2-methyl-g-pyrone; CHEMBL31422; DivK1c_006539; 3-hydroxy-2-methylpyr-4-one; SPBio_001749; QSPL 180; DTXSID0025523; 2-Methyl-3-oxy-.gamma.-pyrone; 3-hydroxy-2-methyl-4-oxopyrane; 3-hydroxyl-2-methyl-4-pyranone; CTK3J6771; FEMA 2656; HSDB 8320; KBio1_001483; KBio2_001899; KBio2_004467; KBio2_007035; KBio3_002381; XPCTZQVDEJYUGT-UHFFFAOYSA-; 2-methyl-3-oxidanyl-pyran-4-one; 3-hydroxy-2-methyl-gamma -pyrone; HMS2052K09; HMS3394K09; KUC106764N; ZINC164488; KS-00000VU7; STR01642; Tox21_202215; Tox21_300118; ANW-17159; BBL011669; BDBM50227434; CCG-38443; Maltol, natural, >=98.5%, FG; NSC404458; s4940; SBB055954; STK801686; 2-methyl-3-hydroxy-4H-pyran-4-one; Maltol, >=99.0%, FCC, FG; AKOS005607790; 3-Hydroxy-2-Methyl-4-pyrone, natural; CS-W013504; HY-W012788; MCULE-2376032845; NC00350; NE10448; PS-4578; SDCCGMLS-0066563.P001; Maltol (3-Hydroxy-2-methyl-4-pyrone); 4-(a-d-Glucopyranosido)-a-glucopyranose; NCGC00091223-01; NCGC00091223-02; NCGC00091223-03; NCGC00091223-04; NCGC00091223-05; NCGC00178231-01; NCGC00254046-01; NCGC00259764-01; BP-11468; KSC-11-228-8; NCI60_002320; SC-46175; SY011358; DB-002512; AM20080119; FT-0615804; M0673; Maltol solution, 1 wt. % in benzyl alcohol; ST50330599; C11918; 45190-EP2295424A1; 45190-EP2311821A1; A804081; Q420648; SR-01000712383; SR-01000712383-3; W-108539; BRD-K40619305-001-12-1; Z1868163292
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| Activity |
Ki = 4.47E+12 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL430738; BDBM50227422
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| Activity |
Ki = 5.13E+12 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL287043; BDBM50227417
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| Activity |
Ki = 5.13E+12 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(2-phenylethylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31522; BDBM50227419
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| Activity |
Ki = 1.00E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[3-benzylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL432268; BDBM50227440
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| Activity |
Ki = 1.07E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-propylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL280562; BDBM50227448
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| Activity |
Ki = 1.07E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(3-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL32003; BDBM50227450
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| Activity |
Ki = 1.35E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(2-chlorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL283234; BDBM50227428
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| Activity |
Ki = 1.48E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL416209; BDBM50227418
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| Activity |
Ki = 1.95E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL284395; BDBM50227430
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| Activity |
Ki = 2.04E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(4-phenylbutylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL32624; BDBM50227442
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| Activity |
Ki = 2.51E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(3-oxo-3-phenylpropyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL287328; BDBM50227424
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| Activity |
Ki = 2.57E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31496; BDBM50227447
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| Activity |
Ki = 2.69E+13 nM
|
[7] | |||
| Compound Name |
Lapachol
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Investigative | Compound Info | ||
| Synonyms |
Greenhartin; Tecomin; Bethabarra wood; Lapachol wood; Taiguic acid; Taigu wood; IPE-tobacco wood; C.I. Natural Yellow 16; Greenharten; Lapachic acid; Surinam greenheart wood; Zlut prirodni 16; NSC 11905; NSC-11905; C.I. 75490; NSC 629756; UNII-B221938VB6; NSC11905; NSC629756; B221938VB6; Tecomin (VAN); Zlut prirodni 16 [Czech]; CCRIS 745; EINECS 201-563-7; BRN 2051889; Groenhartin; Lapachoic acid; Lapachol, 98%; Natural Yellow-?16; Spectrum2_001451; Spectrum3_000768; Spectrum5_001873; bmse000989; NCIMech_000076; DSSTox_CID_29390; DSSTox_RID_83505; DSSTox_GSID_49430; Oprea1_717083; BSPBio_002416; 4-08-00-02487 (Beilstein Handbook Reference); CHEMBL15193; DivK1c_000594; SCHEMBL157255; SCHEMBL157256; SPECTRUM1501204; SPBio_001341; DTXSID6049430; CTK5F3159; HMS501N16; KBio1_000594; KBio3_001636; NINDS_000594; HMS1921B06; HMS3869D03; BCP24022; HY-N6961; ZINC3873071; Tox21_202948; CCG-35464; MFCD00001679; s5684; ZINC78934733; AKOS015951424; AKOS032948320; AC-8971; ACN-036176; CS-W020951; MCULE-9211486718; NSC-629756; SDCCGMLS-0066666.P001; IDI1_000594; NCGC00094931-01; NCGC00094931-02; NCGC00094931-03; NCGC00094931-04; NCGC00260494-01; WLN: L66 BV EVJ CQ D2UY1&1; AK168089; AS-35308; NCI60_000457; NCI60_000587; SC-91848; 1, 2-hydroxy-3-(3-methyl-2-butenyl)-; FT-0649649; W2146; C10366; Cancer Chemother Rep (part 2) 4: 11 (1974); Q739601; SR-05000002489; 2-Hydroxy-3-(3-methyl-2-butenyl)naphthoquinone #; SR-05000002489-1; NSC-11905; NSC 11905; NSC11905
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| Activity |
Ki = 2.69E+13 nM
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[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(4-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31516; BDBM50227427
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| Activity |
Ki = 3.09E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(4-fluorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31299; BDBM50227441
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||||
| Activity |
Ki = 3.31E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[3-butylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31642; BDBM50227446
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||||
| Activity |
Ki = 3.55E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-pentylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL31729; BDBM50227438
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| Activity |
Ki = 3.63E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Acetamido-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL281927; BDBM50227453
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||||
| Activity |
Ki = 4.07E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(3-chlorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL283590; BDBM50227444
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| Activity |
Ki = 4.79E+13 nM
|
[7] | |||
| Compound Name |
Naringenin
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Investigative | Compound Info | ||
| Synonyms |
(S)-Naringenin; pelargidanon; Salipurol; naringetol; (2S)-Naringenin; salipurpol; Asahina; Naringenine; UNII-HN5425SBF2; NSC 11855; CCRIS 5839; NSC 34875; (-)-(2S)-Naringenin; CHEMBL9352; AI3-23355; HN5425SBF2; (-)-Naringenin; NARIGENIN; Flavanone, 4',5,7-trihydroxy- (8CI); 5,7,4'-Trihydroxyflavanone; SR-01000721771; Flavanone, 4',5,7-trihydroxy-; NSC-11855; EINECS 207-550-2; pelargidanon 1602; Spectrum_000247; Spectrum2_000325; Spectrum3_000567; Spectrum4_000124; Spectrum5_001423; 4',5,7-triOH-Flavone; 4',5,7-Trihydroxyflavanon; SCHEMBL20570; BSPBio_001954; KBioGR_000508; KBioSS_000727; MLS000574861; BIDD:ER0116; DivK1c_000118; SPECTRUM1500746; SPBio_000329; 4',5, 7-Trihydroxyflavanone; DTXSID1022392; BDBM23419; CTK8C4789; HMS500F20; KBio1_000118; KBio2_000727; KBio2_003295; KBio2_005863; KBio3_001454; NINDS_000118; (2S)-5,7,4'-trihydroxyflavone; AIDS001417; HMS2202M06; ZINC156701; (2S)-4',5,7-trihydroxyflavanone; HY-N0100; KS-000010IV; TNP00287; 2580AH; ANW-73132; CCG-38601; LMPK12140001; Phytochemistry 8: 127 (1969); s2394; AKOS016843490; CS-6421; DB03467; FS-4072; SB17305; SDCCGMLS-0066570.P001; (2S)-4',5,7-trihydroxyflavan-4-one; IDI1_000118; NCGC00016457-01; NCGC00016457-02; NCGC00016457-03; NCGC00017346-01; NCGC00163598-01; SMR000156272; FT-0617134; SW219329-1; C00509; Q418374; Q-100666; SR-01000721771-3; SR-01000721771-4; BRD-K08832567-001-02-4; BRD-K08832567-001-06-5
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| Activity |
Ki = 5.75E+13 nM
|
[7] | |||
| Compound Name |
3-(3-Bromopropoxy)-4-chloro-7-(3-phenylureido)isocoumarin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL153671; SCHEMBL7320533; BDBM50227425; 1-[3-(3-bromopropoxy)-4-chloro-1-oxoisochromen-7-yl]-3-phenylurea
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| Activity |
Ki = 6.31E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(4-cyanophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL286809; BDBM50227431
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||||
| Activity |
Ki = 8.71E+13 nM
|
[7] | |||
| Compound Name |
2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
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|
Investigative | Compound Info | ||
| Synonyms |
NSC88178; NSC-88178; UNII-FY6PW480IY; FY6PW480IY; Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate; CHEMBL31207; ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate; Ethoxybiochanin A; EINECS 239-511-0; NSC 88178; Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-2-carboxylate; Oprea1_747546; SCHEMBL978538; CTK8F4166; DTXSID10165750; ZINC5650679; BDBM50227455; STK888292; AKOS001061565; MCULE-2921411660; UPCMLD0ENAT0511-1293:001; FT-0637233; ST50039243; 2-carbethoxy5,7-dihydroxy-4'-methoxyisoflavone; 2-carboethoxy-5,7-dihydroxy-4'-methoxy isoflavone; J-009151; Z56858918; F1190-0488; ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylate
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||||
| Activity |
Ki = 8.91E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-heptylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL31914; BDBM50227436
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||||
| Activity |
Ki = 9.55E+13 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL281309; BDBM50227452
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||||
| Activity |
Ki = 1.00E+14 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL30795; BDBM50227429
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||||
| Activity |
Ki = 1.02E+14 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(3-phenylpropylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL31543; BDBM50227445
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||||
| Activity |
Ki = 1.12E+14 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL31595; BDBM50227416
Click to Show/Hide
|
||||
| Activity |
Ki = 1.26E+14 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL417131; BDBM50227432
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|
||||
| Activity |
Ki = 1.29E+14 nM
|
[7] | |||
| Compound Name |
(2S)-2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-(5-phenylpentylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL32001; BDBM50227449
Click to Show/Hide
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||||
| Activity |
Ki = 1.32E+14 nM
|
[7] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies. Bioorg Med Chem. 2011 Feb 1;19(3):1189-96. | ||||
| REF 2 | Structural investigation into the inhibitory mechanisms of indomethacin and its analogues towards human glyoxalase I. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4243-7. | ||||
| REF 3 | Discovery of a new type inhibitor of human glyoxalase I by myricetin-based 4-point pharmacophore. Bioorg Med Chem Lett. 2011 Jul 15;21(14):4337-42. | ||||
| REF 4 | S-(N-aryl-N-hydroxycarbamoyl)glutathione derivatives are tight-binding inhibitors of glyoxalase I and slow substrates for glyoxalase II. J Med Chem. 1994 Jul 8;37(14):2161-6. | ||||
| REF 5 | Syntheses and kinetic evaluation of hydroxamate-based peptide inhibitors of glyoxalase I. Bioorg Med Chem Lett. 1998 Apr 7;8(7):705-10. | ||||
| REF 6 | Role of hydrophobic interactions in binding S-(N-aryl/alkyl-N-hydroxycarbamoyl)glutathiones to the active site of the antitumor target enzyme glyoxalase I. J Med Chem. 2000 Oct 19;43(21):3981-6. | ||||
| REF 7 | The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J Med Chem. 1988 Jul;31(7):1396-406. | ||||
| REF 8 | Synthesis and evaluation of alpha-hydroxythiol esters as antitumor agents and glyoxalase I inhibitors. J Med Chem. 1977 Oct;20(10):1239-42. | ||||
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