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PubMed code 24321832

Compile data set for download or QSAR
Found 38 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, mitochondrial


(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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM68089
PNG
((2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone |...)
Show SMILES O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1
Show InChI InChI=1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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n/an/a 1.47E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50240380
PNG
(2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...)
Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1
Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+
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n/an/a 4.58E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445458
PNG
(CHEMBL3104697)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O5/c22-19-15(11-13-1-7-17(8-2-13)20(23)24)5-6-16(19)12-14-3-9-18(10-4-14)21(25)26/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50241499
PNG
(2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...)
Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1
Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50240380
PNG
(2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...)
Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1
Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+
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n/an/a>1.00E+5n/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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445451
PNG
(CHEMBL3104703)
Show SMILES O=C1\C(CCC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1
Show InChI InChI=1S/C16H16N2O/c19-16-12(10-14-6-2-8-17-14)4-1-5-13(16)11-15-7-3-9-18-15/h2-3,6-11,17-18H,1,4-5H2/b12-10+,13-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445452
PNG
(CHEMBL3104702)
Show SMILES O=C1\C(CC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1
Show InChI InChI=1S/C15H14N2O/c18-15-11(9-13-3-1-7-16-13)5-6-12(15)10-14-4-2-8-17-14/h1-4,7-10,16-17H,5-6H2/b11-9+,12-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445460
PNG
(CHEMBL3104696)
Show SMILES Cc1ccc(\C=C2/CC\C(=C/c3ccc(C)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20O/c1-15-3-7-17(8-4-15)13-19-11-12-20(21(19)22)14-18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50240847
PNG
(2,5-Bis-[1-phenyl-meth-(E)-ylidene]-cyclopentanone...)
Show SMILES O=C1\C(CC\C1=C/c1ccccc1)=C\c1ccccc1
Show InChI InChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445450
PNG
(CHEMBL3104704)
Show SMILES OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1
Show InChI InChI=1S/C29H30N6O3/c36-13-11-27-19-34(32-30-27)17-23-5-1-21(2-6-23)15-25-9-10-26(29(25)38)16-22-3-7-24(8-4-22)18-35-20-28(12-14-37)31-33-35/h1-8,15-16,19-20,36-37H,9-14,17-18H2/b25-15+,26-16+
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n/an/a>1.00E+5n/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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445456
PNG
(CHEMBL3104698)
Show SMILES O=C1\C(CC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12
Show InChI InChI=1S/C25H18N2O/c28-25-19(15-17-11-13-26-23-7-3-1-5-21(17)23)9-10-20(25)16-18-12-14-27-24-8-4-2-6-22(18)24/h1-8,11-16H,9-10H2/b19-15+,20-16+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445458
PNG
(CHEMBL3104697)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)[N+]([O-])=O)C2=O)cc1
Show InChI InChI=1S/C19H14N2O5/c22-19-15(11-13-1-7-17(8-2-13)20(23)24)5-6-16(19)12-14-3-9-18(10-4-14)21(25)26/h1-4,7-12H,5-6H2/b15-11+,16-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445451
PNG
(CHEMBL3104703)
Show SMILES O=C1\C(CCC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1
Show InChI InChI=1S/C16H16N2O/c19-16-12(10-14-6-2-8-17-14)4-1-5-13(16)11-15-7-3-9-18-15/h2-3,6-11,17-18H,1,4-5H2/b12-10+,13-11+
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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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445453
PNG
(CHEMBL3104701)
Show SMILES O=C1\C(CCC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12
Show InChI InChI=1S/C26H20N2O/c29-26-20(14-18-4-1-8-22-16-27-12-10-24(18)22)6-3-7-21(26)15-19-5-2-9-23-17-28-13-11-25(19)23/h1-2,4-5,8-17H,3,6-7H2/b20-14+,21-15+
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Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445459
PNG
(2,5-Bis(4-(Dimethylamino)Benzylidene)Cyclopentanon...)
Show SMILES CN(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1
Show InChI InChI=1S/C23H26N2O/c1-24(2)21-11-5-17(6-12-21)15-19-9-10-20(23(19)26)16-18-7-13-22(14-8-18)25(3)4/h5-8,11-16H,9-10H2,1-4H3/b19-15+,20-16+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445449
PNG
(CHEMBL3104705)
Show SMILES O=C1\C(CC\C1=C/c1ccc(Cn2cc(nn2)-c2ccccc2)cc1)=C\c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C37H30N6O/c44-37-33(21-27-11-15-29(16-12-27)23-42-25-35(38-40-42)31-7-3-1-4-8-31)19-20-34(37)22-28-13-17-30(18-14-28)24-43-26-36(39-41-43)32-9-5-2-6-10-32/h1-18,21-22,25-26H,19-20,23-24H2/b33-21+,34-22+
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Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445454
PNG
(CHEMBL3104700)
Show SMILES O=C1\C(CC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12
Show InChI InChI=1S/C25H18N2O/c28-25-19(13-17-3-1-5-21-15-26-11-9-23(17)21)7-8-20(25)14-18-4-2-6-22-16-27-12-10-24(18)22/h1-6,9-16H,7-8H2/b19-13+,20-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445460
PNG
(CHEMBL3104696)
Show SMILES Cc1ccc(\C=C2/CC\C(=C/c3ccc(C)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20O/c1-15-3-7-17(8-4-15)13-19-11-12-20(21(19)22)14-18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
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n/an/a>1.00E+5n/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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445457
PNG
(CHEMBL2036339)
Show SMILES O=C1\C(CC\C1=C/c1ccncc1)=C\c1ccncc1
Show InChI InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2/b15-11+,16-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50241499
PNG
(2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...)
Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1
Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445449
PNG
(CHEMBL3104705)
Show SMILES O=C1\C(CC\C1=C/c1ccc(Cn2cc(nn2)-c2ccccc2)cc1)=C\c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C37H30N6O/c44-37-33(21-27-11-15-29(16-12-27)23-42-25-35(38-40-42)31-7-3-1-4-8-31)19-20-34(37)22-28-13-17-30(18-14-28)24-43-26-36(39-41-43)32-9-5-2-6-10-32/h1-18,21-22,25-26H,19-20,23-24H2/b33-21+,34-22+
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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, mitochondrial


(Homo sapiens (Human))		BDBM50445453
PNG
(CHEMBL3104701)
Show SMILES O=C1\C(CCC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12
Show InChI InChI=1S/C26H20N2O/c29-26-20(14-18-4-1-8-22-16-27-12-10-24(18)22)6-3-7-21(26)15-19-5-2-9-23-17-28-13-11-25(19)23/h1-2,4-5,8-17H,3,6-7H2/b20-14+,21-15+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50445456
PNG
(CHEMBL3104698)
Show SMILES O=C1\C(CC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12
Show InChI InChI=1S/C25H18N2O/c28-25-19(15-17-11-13-26-23-7-3-1-5-21(17)23)9-10-20(25)16-18-12-14-27-24-8-4-2-6-22(18)24/h1-8,11-16H,9-10H2/b19-15+,20-16+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50240847
PNG
(2,5-Bis-[1-phenyl-meth-(E)-ylidene]-cyclopentanone...)
Show SMILES O=C1\C(CC\C1=C/c1ccccc1)=C\c1ccccc1
Show InChI InChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+
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n/an/a>1.00E+5n/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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445448
PNG
(CHEMBL3104706)
Show SMILES [N-]=[N+]=NCc1ccc(\C=C2/CC\C(=C/c3ccc(CN=[N+]=[N-])cc3)C2=O)cc1
Show InChI InChI=1S/C21H18N6O/c22-26-24-13-17-5-1-15(2-6-17)11-19-9-10-20(21(19)28)12-16-3-7-18(8-4-16)14-25-27-23/h1-8,11-12H,9-10,13-14H2/b19-11+,20-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50264834
PNG
(2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...)
Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1
Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445454
PNG
(CHEMBL3104700)
Show SMILES O=C1\C(CC\C1=C/c1cccc2cnccc12)=C\c1cccc2cnccc12
Show InChI InChI=1S/C25H18N2O/c28-25-19(13-17-3-1-5-21-15-26-11-9-23(17)21)7-8-20(25)14-18-4-2-6-22-16-27-12-10-24(18)22/h1-6,9-16H,7-8H2/b19-13+,20-14+
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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, mitochondrial


(Homo sapiens (Human))		BDBM50445455
PNG
(CHEMBL3104699)
Show SMILES O=C1\C(CCC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12
Show InChI InChI=1S/C26H20N2O/c29-26-20(16-18-12-14-27-24-10-3-1-8-22(18)24)6-5-7-21(26)17-19-13-15-28-25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2/b20-16+,21-17+
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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, mitochondrial


(Homo sapiens (Human))		BDBM68089
PNG
((2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone |...)
Show SMILES O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1
Show InChI InChI=1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+
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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, mitochondrial


(Homo sapiens (Human))		BDBM50445459
PNG
(2,5-Bis(4-(Dimethylamino)Benzylidene)Cyclopentanon...)
Show SMILES CN(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1
Show InChI InChI=1S/C23H26N2O/c1-24(2)21-11-5-17(6-12-21)15-19-9-10-20(23(19)26)16-18-7-13-22(14-8-18)25(3)4/h5-8,11-16H,9-10H2,1-4H3/b19-15+,20-16+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50264834
PNG
(2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...)
Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1
Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+
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n/an/a>1.00E+5n/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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445450
PNG
(CHEMBL3104704)
Show SMILES OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1
Show InChI InChI=1S/C29H30N6O3/c36-13-11-27-19-34(32-30-27)17-23-5-1-21(2-6-23)15-25-9-10-26(29(25)38)16-22-3-7-24(8-4-22)18-35-20-28(12-14-37)31-33-35/h1-8,15-16,19-20,36-37H,9-14,17-18H2/b25-15+,26-16+
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Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50445455
PNG
(CHEMBL3104699)
Show SMILES O=C1\C(CCC\C1=C/c1ccnc2ccccc12)=C\c1ccnc2ccccc12
Show InChI InChI=1S/C26H20N2O/c29-26-20(16-18-12-14-27-24-10-3-1-8-22(18)24)6-5-7-21(26)17-19-13-15-28-25-11-4-2-9-23(19)25/h1-4,8-17H,5-7H2/b20-16+,21-17+
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Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...

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, mitochondrial


(Homo sapiens (Human))		BDBM50445452
PNG
(CHEMBL3104702)
Show SMILES O=C1\C(CC\C1=C/c1ccc[nH]1)=C\c1ccc[nH]1
Show InChI InChI=1S/C15H14N2O/c18-15-11(9-13-3-1-7-16-13)5-6-12(15)10-14-4-2-8-17-14/h1-4,7-10,16-17H,5-6H2/b11-9+,12-10+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50445457
PNG
(CHEMBL2036339)
Show SMILES O=C1\C(CC\C1=C/c1ccncc1)=C\c1ccncc1
Show InChI InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2/b15-11+,16-12+
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n/an/a>1.00E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50445448
PNG
(CHEMBL3104706)
Show SMILES [N-]=[N+]=NCc1ccc(\C=C2/CC\C(=C/c3ccc(CN=[N+]=[N-])cc3)C2=O)cc1
Show InChI InChI=1S/C21H18N6O/c22-26-24-13-17-5-1-15(2-6-17)11-19-9-10-20(21(19)28)12-16-3-7-18(8-4-16)14-25-27-23/h1-8,11-12H,9-10,13-14H2/b19-11+,20-12+
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n/an/a 2.28E+5n/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
* indicates data uncertainty>20%