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Compile Data Set for Download or QSAR

Found 173 hits Enz. Inhib. hit(s) with Target = 'Glutathione reductase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens)
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)
PDB
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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)

More data for this
Ligand-Target Pair
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