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Compile Data Set for Download or QSAR

Found 155 hits of ic50 for UniProtKB: P00390   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50176071
PNG
(2-(2-Amino-ethylamino)-N-(7-{2-[N'-(5-nitro-furan-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NNC(=O)Cc1ccc2ccc(NC(=O)C[NH+]3CC[NH2+][Pt]3(Cl)Cl)cc2c1
Show InChI InChI=1S/C21H22N6O6.2ClH.Pt/c22-7-8-23-12-19(29)24-16-4-3-14-2-1-13(9-15(14)11-16)10-18(28)25-26-21(30)17-5-6-20(33-17)27(31)32;;;/h1-6,9,11,23H,7-8,10,12,22H2,(H,24,29)(H,25,28)(H,26,30);2*1H;/q;;;+4/p-2
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n/an/a 1n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase


J Med Chem 48: 7024-39 (2005)


Article DOI: 10.1021/jm050256l
BindingDB Entry DOI: 10.7270/Q2CN73F9
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50121447
PNG
(5-Nitro-furan-2-carboxylic acid N'-(2-naphthalen-2...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NNC(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22)
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n/an/a 4.10n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase


J Med Chem 48: 7024-39 (2005)


Article DOI: 10.1021/jm050256l
BindingDB Entry DOI: 10.7270/Q2CN73F9
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50352164
PNG
(CHEMBL1824793)
Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1
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n/an/a 344n/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Glutathione reductase


Bioorg Med Chem Lett 21: 5398-402 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.002
BindingDB Entry DOI: 10.7270/Q2V69KKH
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmodium falciparum Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096035
PNG
(6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)
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n/an/a 750n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50051997
PNG
(10-(4-Chloro-phenyl)-8-fluoro-3-methyl-10H-benzo[g...)
Show SMILES Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(F)ccc3nc2c1=O
Show InChI InChI=1S/C17H10ClFN4O2/c1-22-16(24)14-15(21-17(22)25)23(11-5-2-9(18)3-6-11)13-8-10(19)4-7-12(13)20-14/h2-8H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052014
PNG
(3-Methyl-10-(3-trifluoromethyl-phenyl)-10H-benzo[g...)
Show SMILES Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C18H11F3N4O2/c1-24-16(26)14-15(23-17(24)27)25(13-8-3-2-7-12(13)22-14)11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052000
PNG
(10-(3-Trifluoromethyl-phenyl)-10H-benzo[g]pteridin...)
Show SMILES FC(F)(F)c1cccc(c1)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H9F3N4O2/c18-17(19,20)9-4-3-5-10(8-9)24-12-7-2-1-6-11(12)21-13-14(24)22-16(26)23-15(13)25/h1-8H,(H,23,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096062
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096035
PNG
(6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)
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n/an/a 1.30E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmodium falciparum Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase in the the presence of 200 uM exogenous NADP


J Med Chem 47: 5972-83 (2004)


Article DOI: 10.1021/jm0497545
BindingDB Entry DOI: 10.7270/Q20R9NW4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase in the absence of glucose-6-phosphate dehydrogenase (G6PDH)


J Med Chem 47: 5972-83 (2004)


Article DOI: 10.1021/jm0497545
BindingDB Entry DOI: 10.7270/Q20R9NW4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50051998
PNG
(3-Methyl-10-naphthalen-1-yl-10H-benzo[g]pteridine-...)
Show SMILES Cn1c(=O)nc2n(-c3cccc4ccccc34)c3ccccc3nc2c1=O
Show InChI InChI=1S/C21H14N4O2/c1-24-20(26)18-19(23-21(24)27)25(17-11-5-4-10-15(17)22-18)16-12-6-8-13-7-2-3-9-14(13)16/h2-12H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052004
PNG
(3-Methyl-10-phenyl-10H-benzo[g]pteridine-2,4-dione...)
Show SMILES Cn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C17H12N4O2/c1-20-16(22)14-15(19-17(20)23)21(11-7-3-2-4-8-11)13-10-6-5-9-12(13)18-14/h2-10H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096062
PNG
(5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmodium falciparum Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052001
PNG
(8-Azido-10-(4-chloro-phenyl)-3-methyl-10H-benzo[g]...)
Show SMILES Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(ccc3nc2c1=O)N=[N+]=[N-]
Show InChI InChI=1S/C17H10ClN7O2/c1-24-16(26)14-15(21-17(24)27)25(11-5-2-9(18)3-6-11)13-8-10(22-23-19)4-7-12(13)20-14/h2-8H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 2.60E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase in the the presence of 200 uM exogenous NADP


J Med Chem 47: 5972-83 (2004)


Article DOI: 10.1021/jm0497545
BindingDB Entry DOI: 10.7270/Q20R9NW4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096071
PNG
(5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of human Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50051996
PNG
(3-Methyl-10-pyridin-4-yl-10H-benzo[g]pteridine-2,4...)
Show SMILES Cn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-6-8-17-9-7-10)12-5-3-2-4-11(12)18-13/h2-9H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096018
PNG
(6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O
Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase


J Med Chem 47: 5972-83 (2004)


Article DOI: 10.1021/jm0497545
BindingDB Entry DOI: 10.7270/Q20R9NW4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052007
PNG
(10-(3,5-Bis-trifluoromethyl-phenyl)-10H-benzo[g]pt...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C18H8F6N4O2/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)28-12-4-2-1-3-11(12)25-13-14(28)26-16(30)27-15(13)29/h1-7H,(H,27,29,30)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052006
PNG
(10-Pentafluorophenyl-10H-benzo[g]pteridine-2,4-dio...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C16H5F5N4O2/c17-7-8(18)10(20)13(11(21)9(7)19)25-6-4-2-1-3-5(6)22-12-14(25)23-16(27)24-15(12)26/h1-4H,(H,24,26,27)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50051994
PNG
(10-Anthracen-1-yl-3-methyl-10H-benzo[g]pteridine-2...)
Show SMILES Cn1c(=O)nc2n(-c3cccc4cc5ccccc5cc34)c3ccccc3nc2c1=O
Show InChI InChI=1S/C25H16N4O2/c1-28-24(30)22-23(27-25(28)31)29(21-11-5-4-10-19(21)26-22)20-12-6-9-17-13-15-7-2-3-8-16(15)14-18(17)20/h2-14H,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50096071
PNG
(5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O
Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmodium falciparum Glutathione Reductase


J Med Chem 44: 4268-76 (2001)


Article DOI: 10.1021/jm010268g
BindingDB Entry DOI: 10.7270/Q20V8C2Q
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052010
PNG
(10-(3,5-Bis-trifluoromethyl-phenyl)-3-methyl-10H-b...)
Show SMILES Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C19H10F6N4O2/c1-28-16(30)14-15(27-17(28)31)29(13-5-3-2-4-12(13)26-14)11-7-9(18(20,21)22)6-10(8-11)19(23,24)25/h2-8H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50177103
PNG
(1-(2'-chlorophenyl)penta-1,4-dien-3-one | CHEMBL22...)
Show SMILES Clc1ccccc1\C=C\C(=O)C=C
Show InChI InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Biochemie-Zentrum der Universität Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase after 5 mins preincubation with NADPH in presence of 500 uM GSSG substrate


J Med Chem 48: 7400-10 (2005)


Article DOI: 10.1021/jm0504860
BindingDB Entry DOI: 10.7270/Q23X8662
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50316592
PNG
((2R(S),7R(S))-7-Hydroxybicyclo[2.2.1]heptan-2-yl n...)
Show SMILES O[C@@H]1C2CCC1[C@@H](C2)O[N+]([O-])=O
Show InChI InChI=1S/C7H11NO4/c9-7-4-1-2-5(7)6(3-4)12-8(10)11/h4-7,9H,1-3H2/t4?,5?,6-,7-/m1/s1
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n/an/a 6.81E+3n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052013
PNG
(CHEMBL415870 | [10-(3,5-Dichloro-phenyl)-2,4-dioxo...)
Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C20H14Cl2N4O4/c1-2-30-16(27)10-25-19(28)17-18(24-20(25)29)26(13-8-11(21)7-12(22)9-13)15-6-4-3-5-14(15)23-17/h3-9H,2,10H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293668
PNG
((2S(R),7R(S))-7-Hydroxybicyclo[2.2.1]heptan-2-yl n...)
Show SMILES OC1C2CCC1C(C2)O[N+]([O-])=O
Show InChI InChI=1S/C7H11NO4/c9-7-4-1-2-5(7)6(3-4)12-8(10)11/h4-7,9H,1-3H2
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n/an/a 7.13E+3n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293667
PNG
((1R(S),2R(S),3S(R),4S(R))-2,3-Dihydroxycyclo-hexan...)
Show SMILES OC1C(O)C(CCC1O[N+]([O-])=O)O[N+]([O-])=O
Show InChI InChI=1S/C6H10N2O8/c9-5-3(15-7(11)12)1-2-4(6(5)10)16-8(13)14/h3-6,9-10H,1-2H2
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n/an/a 7.17E+3n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50339129
PNG
(CHEMBL1688544 | Coruleoellagic acid)
Show SMILES Oc1c(O)c2oc(=O)c3c(O)c(O)c(O)c4oc(=O)c(c1O)c2c34
Show InChI InChI=1S/C14H6O10/c15-5-3-1-2-4(14(22)23-11(1)9(19)7(5)17)6(16)8(18)10(20)12(2)24-13(3)21/h15-20H
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n/an/a 7.60E+3n/an/an/an/an/an/a



Justus-Liebig-University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase by spectrophotometer


Antimicrob Agents Chemother 53: 622-30 (2009)


Article DOI: 10.1128/AAC.00544-08
BindingDB Entry DOI: 10.7270/Q2RR1ZJ5
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052011
PNG
(CHEMBL38563 | [2,4-Dioxo-10-(3-trifluoromethyl-phe...)
Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C21H15F3N4O4/c1-2-32-16(29)11-27-19(30)17-18(26-20(27)31)28(15-9-4-3-8-14(15)25-17)13-7-5-6-12(10-13)21(22,23)24/h3-10H,2,11H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052002
PNG
(3-Methyl-10-pyridin-3-yl-10H-benzo[g]pteridine-2,4...)
Show SMILES Cn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-5-4-8-17-9-10)12-7-3-2-6-11(12)18-13/h2-9H,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293666
PNG
((1S(R),3S(R),4S(R),6S(R))-4,6-Dihydroxycyclo-hexan...)
Show SMILES OC1CC(O)C(CC1O[N+]([O-])=O)O[N+]([O-])=O
Show InChI InChI=1S/C6H10N2O8/c9-3-1-4(10)6(16-8(13)14)2-5(3)15-7(11)12/h3-6,9-10H,1-2H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay


Eur J Med Chem 71: 282-9 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.011
BindingDB Entry DOI: 10.7270/Q25Q4XKQ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293665
PNG
((1R(S),2R(S),4R(S),5R(S))-2,5-Dihydroxycyclo-hexan...)
Show SMILES OC1CC(O[N+]([O-])=O)C(O)CC1O[N+]([O-])=O
Show InChI InChI=1S/C6H10N2O8/c9-3-1-5(15-7(11)12)4(10)2-6(3)16-8(13)14/h3-6,9-10H,1-2H2
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n/an/a 8.71E+3n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50104661
PNG
(CHEMBL92155 | Naphthalene-2-sulfonic acid [2-(6-ch...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C26H22ClN3O3S/c1-33-20-8-11-24-23(16-20)26(22-10-7-19(27)15-25(22)30-24)28-12-13-29-34(31,32)21-9-6-17-4-2-3-5-18(17)14-21/h2-11,14-16,29H,12-13H2,1H3,(H,28,30)
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human Glutathione reductase was determined


Bioorg Med Chem Lett 11: 2655-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00528-5
BindingDB Entry DOI: 10.7270/Q2154G90
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293664
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methano-nap...)
Show SMILES OC1C2CC(O[N+]([O-])=O)C1c1ccccc21
Show InChI InChI=1S/C11H11NO4/c13-11-8-5-9(16-12(14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-11,13H,5H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293663
PNG
((1S(R),2S(R),5R(S),6R(S))-5-Bromo-9-oxabicyclo[4.2...)
Show SMILES [O-][N+](=O)OC1CCC(Br)C2CCC1O2
Show InChI InChI=1S/C8H12BrNO4/c9-5-1-2-8(14-10(11)12)7-4-3-6(5)13-7/h5-8H,1-4H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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800 -8.31 1.20E+4n/an/an/an/a8.025



Ataturk University



Assay Description
GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...


J Enzyme Inhib Med Chem 27: 18-23 (2012)


Article DOI: 10.3109/14756366.2011.572879
BindingDB Entry DOI: 10.7270/Q20K27GD
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052005
PNG
(CHEMBL289205 | [10-(4-Chloro-phenyl)-2,4-dioxo-4,1...)
Show SMILES OC(=O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C18H11ClN4O4/c19-10-5-7-11(8-6-10)23-13-4-2-1-3-12(13)20-15-16(23)21-18(27)22(17(15)26)9-14(24)25/h1-8H,9H2,(H,24,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50054332
PNG
(3-Oxo-3,5-dihydro-2H-indeno[1,2-c]pyridazine-4-car...)
Show SMILES OC(=O)c1c2Cc3ccccc3-c2n[nH]c1=O
Show InChI InChI=1S/C12H8N2O3/c15-11-9(12(16)17)8-5-6-3-1-2-4-7(6)10(8)13-14-11/h1-4H,5H2,(H,14,15)(H,16,17)
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n/an/a 1.23E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glutathione reductase


J Med Chem 39: 4396-405 (1996)


Article DOI: 10.1021/jm960124f
BindingDB Entry DOI: 10.7270/Q2N58N21
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50352163
PNG
(CHEMBL1824792)
Show SMILES CC[C@H](CO)NCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H16N2O3/c1-2-10(8-14)12-7-9-3-5-11(6-4-9)13(15)16/h3-6,10,12,14H,2,7-8H2,1H3/t10-/m1/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Glutathione reductase


Bioorg Med Chem Lett 21: 5398-402 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.002
BindingDB Entry DOI: 10.7270/Q2V69KKH
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50104665
PNG
(CHEMBL89368 | Naphthalene-2-sulfonic acid [4-(6-ch...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C28H26ClN3O3S/c1-35-22-10-13-26-25(18-22)28(24-12-9-21(29)17-27(24)32-26)30-14-4-5-15-31-36(33,34)23-11-8-19-6-2-3-7-20(19)16-23/h2-3,6-13,16-18,31H,4-5,14-15H2,1H3,(H,30,32)
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human Glutathione reductase was determined


Bioorg Med Chem Lett 11: 2655-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00528-5
BindingDB Entry DOI: 10.7270/Q2154G90
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50052008
PNG
(CHEMBL414176 | [10-(3,5-Dichloro-phenyl)-2,4-dioxo...)
Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C18H10Cl2N4O4/c19-9-5-10(20)7-11(6-9)24-13-4-2-1-3-12(13)21-15-16(24)22-18(28)23(17(15)27)8-14(25)26/h1-7H,8H2,(H,25,26)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Institut für Biochemie II der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against human glutathione reductase in presence of 100 microM GSSG


J Med Chem 39: 1549-54 (1996)


Article DOI: 10.1021/jm950511+
BindingDB Entry DOI: 10.7270/Q2F18XTZ
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293661
PNG
(CHEMBL556256 | trans-(1S(R),2S(R))-2-Hydroxycycloo...)
Show SMILES O[C@H]1CCCCCC[C@@H]1O[N+]([O-])=O
Show InChI InChI=1S/C8H15NO4/c10-7-5-3-1-2-4-6-8(7)13-9(11)12/h7-8,10H,1-6H2/t7-,8-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50352161
PNG
(CHEMBL1824791)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H30ClN3O8/c1-25(2,3)37-24(32)28-21(22(30)36-19-13-11-18(12-14-19)29(33)34)10-6-7-15-27-23(31)35-16-17-8-4-5-9-20(17)26/h4-5,8-9,11-14,21H,6-7,10,15-16H2,1-3H3,(H,27,31)(H,28,32)/t21-/m0/s1
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n/an/a 1.54E+4n/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte Glutathione reductase


Bioorg Med Chem Lett 21: 5398-402 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.002
BindingDB Entry DOI: 10.7270/Q2V69KKH
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase


J Med Chem 47: 5972-83 (2004)


Article DOI: 10.1021/jm0497545
BindingDB Entry DOI: 10.7270/Q20R9NW4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293660
PNG
(CHEMBL563619 | trans-(R(S))-2-Hydroxy-1-phenylethy...)
Show SMILES OC[C@H](O[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C8H9NO4/c10-6-8(13-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte glutathione reductase


Bioorg Med Chem Lett 19: 3661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.087
BindingDB Entry DOI: 10.7270/Q2930V34
More data for this
Ligand-Target Pair
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