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Found 45 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin glutathione reductase' AND taxid = 6183   
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
Thioredoxin glutathione reductase


(Schistosoma mansoni)
BDBM50049873
PNG
(CHEMBL3322287)
Show SMILES NC(=O)c1c(no[n+]1[O-])C(=O)N1CC2N(CCc3ccccc23)C(=O)C1
Show InChI InChI=1/C16H15N5O5/c17-15(23)14-13(18-26-21(14)25)16(24)19-7-11-10-4-2-1-3-9(10)5-6-20(11)12(22)8-19/h1-4,11H,5-8H2,(H2,17,23)
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n/an/a 10n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM35361
PNG
((5-oxidanidyl-4-thiophen-2-ylcarbonyl-1,2,5-oxadia...)
Show SMILES [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
Show InChI InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H
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n/an/a 40n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300734
PNG
(4-thienoyl-3-cyanofuroxan | CHEMBL576265)
Show SMILES [O-][n+]1onc(C(=O)c2cccs2)c1C#N
Show InChI InChI=1S/C8H3N3O3S/c9-4-5-7(10-14-11(5)13)8(12)6-2-1-3-15-6/h1-3H
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50049868
PNG
(CHEMBL3322292)
Show SMILES NC(=O)c1c(COc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)no[n+]1[O-]
Show InChI InChI=1/C23H27N5O6/c24-22(30)21-18(25-34-28(21)32)13-33-16-7-6-14-8-9-27-19(17(14)10-16)11-26(12-20(27)29)23(31)15-4-2-1-3-5-15/h6-7,10,15,19H,1-5,8-9,11-13H2,(H2,24,30)
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n/an/a 83n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50300756
PNG
(3-formyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES [O-][n+]1onc(c1C=O)-c1ccccc1
Show InChI InChI=1S/C9H6N2O3/c12-6-8-9(10-14-11(8)13)7-4-2-1-3-5-7/h1-6H
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n/an/a 110n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50049874
PNG
(CHEMBL3322286)
Show SMILES COC(=O)c1c(no[n+]1[O-])C(=O)N1CC2N(CCc3ccccc23)C(=O)C1
Show InChI InChI=1/C17H16N4O6/c1-26-17(24)15-14(18-27-21(15)25)16(23)19-8-12-11-5-3-2-4-10(11)6-7-20(12)13(22)9-19/h2-5,12H,6-9H2,1H3
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n/an/a 148n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049872
PNG
(CHEMBL3322288)
Show SMILES [O-][n+]1onc(C(=O)N2CC3N(CCc4ccccc34)C(=O)C2)c1C#N
Show InChI InChI=1/C16H13N5O4/c17-7-12-15(18-25-21(12)24)16(23)19-8-13-11-4-2-1-3-10(11)5-6-20(13)14(22)9-19/h1-4,13H,5-6,8-9H2
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n/an/a 316n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049867
PNG
(CHEMBL3322293)
Show SMILES [O-][n+]1onc(COc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1C#N
Show InChI InChI=1/C23H25N5O5/c24-11-20-19(25-33-28(20)31)14-32-17-7-6-15-8-9-27-21(18(15)10-17)12-26(13-22(27)29)23(30)16-4-2-1-3-5-16/h6-7,10,16,21H,1-5,8-9,12-14H2
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n/an/a 350n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50300760
PNG
(4,4'-(thiophene-2,4-diyl)bis(3-cyano-1,2,5-oxadiaz...)
Show SMILES [O-]n1[o+]nc(-c2cc(cs2)-c2no[n+]([O-])c2C#N)c1C#N
Show InChI InChI=1S/C10H2N6O4S/c11-2-6-9(13-19-15(6)17)5-1-8(21-4-5)10-7(3-12)16(18)20-14-10/h1,4H
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n/an/a 350n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300761
PNG
(4,4'-(thiophene-2,5-diyl)bis(3-cyano-1,2,5-oxadiaz...)
Show SMILES [O-][n+]1onc(-c2ccc(s2)-c2no[n+]([O-])c2C#N)c1C#N
Show InChI InChI=1S/C10H2N6O4S/c11-3-5-9(13-19-15(5)17)7-1-2-8(21-7)10-6(4-12)16(18)20-14-10/h1-2H
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n/an/a 400n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300762
PNG
(4,4'-(5-fluoro-1,3-phenylene)bis(3-cyano-1,2,5-oxa...)
Show SMILES [O-][n+]1onc(c1C#N)-c1cc(F)cc(c1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C12H3FN6O4/c13-8-2-6(11-9(4-14)18(20)22-16-11)1-7(3-8)12-10(5-15)19(21)23-17-12/h1-3H
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n/an/a 480n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300755
PNG
(3-carboxy-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEM...)
Show SMILES OC(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C9H6N2O4/c12-9(13)8-7(10-15-11(8)14)6-4-2-1-3-5-6/h1-5H,(H,12,13)
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n/an/a 630n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300763
PNG
(4,4'-(1,4-phenylene)bis(3-cyano-1,2,5-oxadiazole 2...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C12H4N6O4/c13-5-9-11(15-21-17(9)19)7-1-2-8(4-3-7)12-10(6-14)18(20)22-16-12/h1-4H
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300753
PNG
(3-cyano-4-(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C9H4N4O4/c10-5-8-9(11-17-13(8)16)6-2-1-3-7(4-6)12(14)15/h1-4H
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n/an/a 2.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300752
PNG
(3-cyano-4-(3-(trifluoromethyl)phenyl)-1,2,5-oxadia...)
Show SMILES [O-][n+]1onc(c1C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H4F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)9-8(5-14)16(17)18-15-9/h1-4H
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300751
PNG
(4-(3-bromo-4-fluorophenyl)-3-cyano-1,2,5-oxadiazol...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(F)c(Br)c1
Show InChI InChI=1S/C9H3BrFN3O2/c10-6-3-5(1-2-7(6)11)9-8(4-12)14(15)16-13-9/h1-3H
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300750
PNG
(4-(3-bromophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide...)
Show SMILES [O-][n+]1onc(c1C#N)-c1cccc(Br)c1
Show InChI InChI=1S/C9H4BrN3O2/c10-7-3-1-2-6(4-7)9-8(5-11)13(14)15-12-9/h1-4H
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300736
PNG
(3-cyano-4-(furan-2-yl)-1,2,5-oxadiazole 2-oxide | ...)
Show SMILES [O-][n+]1onc(-c2ccco2)c1C#N
Show InChI InChI=1S/C7H3N3O3/c8-4-5-7(9-13-10(5)11)6-2-1-3-12-6/h1-3H
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300735
PNG
(3-cyano-4-(thiophen-2-yl)-1,2,5-oxadiazole 2-oxide...)
Show SMILES [O-][n+]1onc(-c2cccs2)c1C#N
Show InChI InChI=1S/C7H3N3O2S/c8-4-5-7(9-12-10(5)11)6-2-1-3-13-6/h1-3H
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300759
PNG
(4,4'-(1,3-phenylene)bis(3-cyano-1,2,5-oxadiazole 2...)
Show SMILES [O-][n+]1onc(c1C#N)-c1cccc(c1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C12H4N6O4/c13-5-9-11(15-21-17(9)19)7-2-1-3-8(4-7)12-10(6-14)18(20)22-16-12/h1-4H
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300748
PNG
(4-(4-bromophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(Br)cc1
Show InChI InChI=1S/C9H4BrN3O2/c10-7-3-1-6(2-4-7)9-8(5-11)13(14)15-12-9/h1-4H
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300749
PNG
(4-(3-chlorophenyl)-3-cyano-1,2,5-oxadiazole 2-oxid...)
Show SMILES [O-][n+]1onc(c1C#N)-c1cccc(Cl)c1
Show InChI InChI=1S/C9H4ClN3O2/c10-7-3-1-2-6(4-7)9-8(5-11)13(14)15-12-9/h1-4H
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300747
PNG
(4-(4-chlorophenyl)-3-cyano-1,2,5-oxadiazole 2-oxid...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C9H4ClN3O2/c10-7-3-1-6(2-4-7)9-8(5-11)13(14)15-12-9/h1-4H
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50038412
PNG
(2-Oxy-4-phenyl-furazan-3-carbonitrile | 3-cyano-4-...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccccc1
Show InChI InChI=1S/C9H5N3O2/c10-6-8-9(11-14-12(8)13)7-4-2-1-3-5-7/h1-5H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50038412
PNG
(2-Oxy-4-phenyl-furazan-3-carbonitrile | 3-cyano-4-...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccccc1
Show InChI InChI=1S/C9H5N3O2/c10-6-8-9(11-14-12(8)13)7-4-2-1-3-5-7/h1-5H
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n/an/a 6.30E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300745
PNG
(3-cyano-4-(3-hydroxyphenyl)-1,2,5-oxadiazole 2-oxi...)
Show SMILES Oc1cccc(c1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C9H5N3O3/c10-5-8-9(11-15-12(8)14)6-2-1-3-7(13)4-6/h1-4,13H
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n/an/a 7.10E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300746
PNG
(3-cyano-4-(4-(trifluoromethyl)phenyl)-1,2,5-oxadia...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H4F3N3O2/c11-10(12,13)7-3-1-6(2-4-7)9-8(5-14)16(17)18-15-9/h1-4H
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n/an/a 7.10E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300744
PNG
(3-cyano-4-(4-fluorophenyl)-1,2,5-oxadiazole 2-oxid...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C9H4FN3O2/c10-7-3-1-6(2-4-7)9-8(5-11)13(14)15-12-9/h1-4H
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n/an/a 7.90E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300743
PNG
(3-cyano-4-(2-methoxyphenyl)-1,2,5-oxadiazole 2-oxi...)
Show SMILES COc1ccccc1-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O3/c1-15-9-5-3-2-4-7(9)10-8(6-11)13(14)16-12-10/h2-5H,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50049864
PNG
(CHEMBL3322356)
Show SMILES [O-][n+]1onc(OCCCOc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1/C30H34N4O8S/c35-27-20-32(29(36)22-8-3-1-4-9-22)19-26-25-18-23(13-12-21(25)14-15-33(26)27)40-16-7-17-41-28-30(34(37)42-31-28)43(38,39)24-10-5-2-6-11-24/h2,5-6,10-13,18,22,26H,1,3-4,7-9,14-17,19-20H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50300742
PNG
(3-cyano-4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol...)
Show SMILES COc1cc(cc(OC)c1OC)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C12H11N3O5/c1-17-9-4-7(5-10(18-2)12(9)19-3)11-8(6-13)15(16)20-14-11/h4-5H,1-3H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300741
PNG
(3-cyano-4-(3-methoxyphenyl)-1,2,5-oxadiazole 2-oxi...)
Show SMILES COc1cccc(c1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O3/c1-15-8-4-2-3-7(5-8)10-9(6-11)13(14)16-12-10/h2-5H,1H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300740
PNG
(3-cyano-4-(4-methoxyphenyl)-1,2,5-oxadiazole 2-oxi...)
Show SMILES COc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O3/c1-15-8-4-2-7(3-5-8)10-9(6-11)13(14)16-12-10/h2-5H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300739
PNG
(3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES Cc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C10H7N3O2/c1-7-2-4-8(5-3-7)10-9(6-11)13(14)15-12-10/h2-5H,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300757
PNG
(3-(hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxid...)
Show SMILES OCc1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C9H8N2O3/c12-6-8-9(10-14-11(8)13)7-4-2-1-3-5-7/h1-5,12H,6H2
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n/an/a 1.12E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300738
PNG
(4-(biphenyl-4-yl)-3-cyano-1,2,5-oxadiazole 2-oxide...)
Show SMILES [O-][n+]1onc(c1C#N)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H9N3O2/c16-10-14-15(17-20-18(14)19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H
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n/an/a 1.58E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300754
PNG
(2-Oxy-4-phenyl-furazan-3-carboxylic acid amide | 3...)
Show SMILES NC(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C9H7N3O3/c10-9(13)8-7(11-15-12(8)14)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
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n/an/a 1.78E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50300737
PNG
(3-cyano-4-(4-hydroxyphenyl)-1,2,5-oxadiazole 2-oxi...)
Show SMILES Oc1ccc(cc1)-c1no[n+]([O-])c1C#N
Show InChI InChI=1S/C9H5N3O3/c10-5-8-9(11-15-12(8)14)6-1-3-7(13)4-2-6/h1-4,13H
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n/an/a 1.79E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50049871
PNG
(CHEMBL3322289)
Show SMILES COC(=O)c1nonc1C(=O)N1CC2N(CCc3ccccc23)C(=O)C1
Show InChI InChI=1/C17H16N4O5/c1-25-17(24)15-14(18-26-19-15)16(23)20-8-12-11-5-3-2-4-10(11)6-7-21(12)13(22)9-20/h2-5,12H,6-9H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50300758
PNG
(3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...)
Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni TGR


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


(Schistosoma mansoni)
BDBM50049865
PNG
(CHEMBL3322355)
Show SMILES O=C(C1CCCCC1)N1CC2N(CCc3ccc(OCc4nonc4C#N)cc23)C(=O)C1
Show InChI InChI=1/C23H25N5O4/c24-11-19-20(26-32-25-19)14-31-17-7-6-15-8-9-28-21(18(15)10-17)12-27(13-22(28)29)23(30)16-4-2-1-3-5-16/h6-7,10,16,21H,1-5,8-9,12-14H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049863
PNG
(CHEMBL3322357)
Show SMILES O=C(C1CCCCC1)N1CC2N(CCc3ccc(OCCCOc4nonc4S(=O)(=O)c4ccccc4)cc23)C(=O)C1
Show InChI InChI=1/C30H34N4O7S/c35-27-20-33(30(36)22-8-3-1-4-9-22)19-26-25-18-23(13-12-21(25)14-15-34(26)27)39-16-7-17-40-28-29(32-41-31-28)42(37,38)24-10-5-2-6-11-24/h2,5-6,10-13,18,22,26H,1,3-4,7-9,14-17,19-20H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049869
PNG
(CHEMBL3322291)
Show SMILES O=C(N1CC2N(CCc3ccccc23)C(=O)C1)c1nonc1C#N
Show InChI InChI=1/C16H13N5O3/c17-7-12-15(19-24-18-12)16(23)20-8-13-11-4-2-1-3-10(11)5-6-21(13)14(22)9-20/h1-4,13H,5-6,8-9H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049866
PNG
(CHEMBL3322294)
Show SMILES NC(=O)c1nonc1COc1ccc2CCN3C(CN(CC3=O)C(=O)C3CCCCC3)c2c1
Show InChI InChI=1/C23H27N5O5/c24-22(30)21-18(25-33-26-21)13-32-16-7-6-14-8-9-28-19(17(14)10-16)11-27(12-20(28)29)23(31)15-4-2-1-3-5-15/h6-7,10,15,19H,1-5,8-9,11-13H2,(H2,24,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


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


(Schistosoma mansoni)
BDBM50049870
PNG
(CHEMBL3322290)
Show SMILES NC(=O)c1nonc1C(=O)N1CC2N(CCc3ccccc23)C(=O)C1
Show InChI InChI=1/C16H15N5O4/c17-15(23)13-14(19-25-18-13)16(24)20-7-11-10-4-2-1-3-9(10)5-6-21(11)12(22)8-20/h1-4,11H,5-8H2,(H2,17,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins


Citation and Details
More data for this
Ligand-Target Pair