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PubMed code 8691487

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50052012
PNG
(CHEMBL418250 | [10-(4-Chloro-phenyl)-2,4-dioxo-4,1...)
Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C20H15ClN4O4/c1-2-29-16(26)11-24-19(27)17-18(23-20(24)28)25(13-9-7-12(21)8-10-13)15-6-4-3-5-14(15)22-17/h3-10H,2,11H2,1H3
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n/an/a 1.80E+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))
BDBM50052009
PNG
(CHEMBL41209 | [2,4-Dioxo-10-(3-trifluoromethyl-phe...)
Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cccc(c3)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C19H11F3N4O4/c20-19(21,22)10-4-3-5-11(8-10)26-13-7-2-1-6-12(13)23-15-16(26)24-18(30)25(17(15)29)9-14(27)28/h1-8H,9H2,(H,27,28)
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n/an/a 2.00E+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))
BDBM50051995
PNG
(CHEMBL290019 | [10-(3,5-Bis-trifluoromethyl-phenyl...)
Show SMILES OC(=O)Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C20H10F6N4O4/c21-19(22,23)9-5-10(20(24,25)26)7-11(6-9)30-13-4-2-1-3-12(13)27-15-16(30)28-18(34)29(17(15)33)8-14(31)32/h1-7H,8H2,(H,31,32)
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n/an/a 2.50E+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))
BDBM50051999
PNG
(1-Methyl-4-(3-methyl-2,4-dioxo-3,4-dihydro-2H-benz...)
Show SMILES Cn1c(=O)nc2n(-c3cc[n+](C)cc3)c3ccccc3nc2c1=O
Show InChI InChI=1S/C17H14N5O2/c1-20-9-7-11(8-10-20)22-13-6-4-3-5-12(13)18-14-15(22)19-17(24)21(2)16(14)23/h3-10H,1-2H3/q+1
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n/an/a 4.00E+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))
BDBM50052003
PNG
(CHEMBL38355 | [10-(3,5-Bis-trifluoromethyl-phenyl)...)
Show SMILES CCOC(=O)Cn1c(=O)nc2n(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1=O
Show InChI InChI=1S/C22H14F6N4O4/c1-2-36-16(33)10-31-19(34)17-18(30-20(31)35)32(15-6-4-3-5-14(15)29-17)13-8-11(21(23,24)25)7-12(9-13)22(26,27)28/h3-9H,2,10H2,1H3
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PubMed
n/an/a 1.00E+5n/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
* indicates data uncertainty>20%