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Compile Data Set for Download or QSAR

Found 181 hits Enz. Inhib. hit(s) with Target = 'Glutathione reductase' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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211n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
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 -34.8 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))
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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3.70E+3n/an/an/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))
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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4.16E+3n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Non-Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
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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4.57E+3n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
BDBM50056998
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
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6.10E+3 -29.8 2.90E+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))
BDBM50422689
PNG
(640/359 | CEFUROXIME)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1
Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
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1.04E+4n/a 1.88E+4n/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25C. The assay system contained 100 mM Tris-...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
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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1.17E+4n/an/an/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))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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1.21E+4n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)


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))
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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1.31E+4n/an/an/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))
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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1.61E+4n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibitory concentration against human glutathione reductase (In presence of NADPH)


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))
BDBM50049707
PNG
((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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1.73E+4n/a 2.13E+4n/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25C. The assay system contained 100 mM Tris-...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
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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1.74E+4n/an/an/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))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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1.74E+4n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
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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1.79E+4n/an/an/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))
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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1.84E+4n/an/an/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))
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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1.88E+4n/an/an/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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2.15E+4n/an/an/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))
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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2.19E+4n/an/an/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))
BDBM237182
PNG
(Ceftizoxime)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1
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2.28E+4n/a 3.97E+4n/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25C. The assay system contained 100 mM Tris-...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
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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2.56E+4n/an/an/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))
BDBM50390999
PNG
(CEFOPERAZONE)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O
Show InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
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2.87E+4n/a 4.84E+4n/an/an/an/an/an/a



Ondokuz Mayis University



Assay Description
Enzymatic activity was measured by Beutler's method with a Shimadzu Spectrophotometer UV-(1208), at 25C. The assay system contained 100 mM Tris-...


J Enzyme Inhib Med Chem 28: 824-9 (2013)


Article DOI: 10.3109/14756366.2012.688042
BindingDB Entry DOI: 10.7270/Q21J98P4
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50293658
PNG
(CHEMBL555721 | trans-(1S(R),6S(R))-6-Hydroxycycloh...)
Show SMILES O[C@H]1CC=CC[C@@H]1O[N+]([O-])=O
Show InChI InChI=1S/C6H9NO4/c8-5-3-1-2-4-6(5)11-7(9)10/h1-2,5-6,8H,3-4H2/t5-,6-/m0/s1
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3.51E+4n/an/an/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))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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4.27E+4n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
BDBM50293659
PNG
(CHEMBL562358 | trans-(1S(R),2S(R))-2-Hydroxycycloh...)
Show SMILES O[C@H]1CCCC[C@@H]1O[N+]([O-])=O
Show InChI InChI=1S/C6H11NO4/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6,8H,1-4H2/t5-,6-/m0/s1
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4.37E+4n/an/an/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))
BDBM50293662
PNG
(CHEMBL559615 | trans-(1S(R),8S(R),Z)-8-Hydroxycycl...)
Show SMILES O[C@H]1CC\C=C/CC[C@@H]1O[N+]([O-])=O
Show InChI InChI=1S/C8H13NO4/c10-7-5-3-1-2-4-6-8(7)13-9(11)12/h1-2,7-8,10H,3-6H2/b2-1-/t7-,8-/m0/s1
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4.43E+4n/an/an/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))
BDBM50352165
PNG
(LYSINE)
Show SMILES N[C@@H](CCCC[NH3+])C(O)=O
Show InChI InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
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5.46E+4n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
BDBM50170723
PNG
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)
Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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1.92E+5n/an/an/an/an/an/an/an/a



Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibitory constant against human glutathione reductase


J Med Chem 48: 4793-802 (2005)


Article DOI: 10.1021/jm050027z
BindingDB Entry DOI: 10.7270/Q2XK8GB5
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50352162
PNG
(NITROBENZENE)
Show SMILES [O-][N+](=O)c1ccccc1
Show InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
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2.74E+5n/an/an/an/an/an/an/an/a



Batman University

Curated by ChEMBL


Assay Description
Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis


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))
BDBM235694
PNG
(Phenyramidol-HCl)
Show SMILES OC(CNc1ccccn1)c1ccccc1
Show InChI InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)
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4.34E+5 -19.2 9.90E+5n/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))
BDBM50091152
PNG
(CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1
Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1
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2.00E+6n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Erythrocyte glutathione reductase (GR).


J Med Chem 43: 3148-56 (2000)


Article DOI: 10.1021/jm000156+
BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50091149
PNG
((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1
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2.20E+6n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Erythrocyte glutathione reductase (GR).


J Med Chem 43: 3148-56 (2000)


Article DOI: 10.1021/jm000156+
BindingDB Entry DOI: 10.7270/Q2R78FXC
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50093207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[(E)-3-(3,...)
Show SMILES Oc1ccc(\C=C\C(=O)NCCCNCCCCNCCCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H38N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-12,19-20,29-30,33-36H,1-4,13-18H2,(H,31,37)(H,32,38)/b11-7+,12-8+
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>1.00E+7n/an/an/an/an/an/an/an/a



University of Southamton

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of human Glutathione reductase


Bioorg Med Chem Lett 10: 2367-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00471-6
BindingDB Entry DOI: 10.7270/Q2HH6KKC
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM233150
PNG
(Gadopentetic acid)
Show SMILES OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-3
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2.88E+7 -8.79 1.38E+8n/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))
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))
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))
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
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