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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic'   
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
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50333880
PNG
(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Mixed-type inhibition of rat liver cytosolic TrxR1 by Lineweaver-Burk plot analysis


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50333880
PNG
(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
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8.10E+3n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Mixed-type inhibition of rat liver cytosolic TrxR1 at protein-substrate complex by Lineweaver-Burk plot analysis


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385274
PNG
(CHEMBL2035489)
Show SMILES COc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385288
PNG
(CHEMBL2034987)
Show SMILES Fc1ccc2[se]n(CCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C16H10F2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2
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n/an/a 280n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385273
PNG
(CHEMBL2035491)
Show SMILES Oc1ccc2[se]n(CCn3[se]c4ccc(O)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C16H12N2O4Se2/c19-9-1-3-13-11(7-9)15(21)17(23-13)5-6-18-16(22)12-8-10(20)2-4-14(12)24-18/h1-4,7-8,19-20H,5-6H2
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n/an/a 320n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385303
PNG
(CHEMBL2035460 | US8592468, EbSe14)
Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
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n/an/a 350n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385279
PNG
(CHEMBL2035484)
Show SMILES [O-][N+](=O)c1ccc2[se]n(CCn3[se]c4ccc(cc4c3=O)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C16H10N4O6Se2/c21-15-11-7-9(19(23)24)1-3-13(11)27-17(15)5-6-18-16(22)12-8-10(20(25)26)2-4-14(12)28-18/h1-4,7-8H,5-6H2
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n/an/a 570n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385302
PNG
(CHEMBL2035461 | US8592468, EbSe15)
Show SMILES O=c1n(CCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C17H14N2O2Se2/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2
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n/an/a 780n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385278
PNG
(CHEMBL2035485)
Show SMILES Fc1ccc2c(c1)[se]n(CCn1[se]c3cc(F)ccc3c1=O)c2=O
Show InChI InChI=1S/C16H10F2N2O2Se2/c17-9-1-3-11-13(7-9)23-19(15(11)21)5-6-20-16(22)12-4-2-10(18)8-14(12)24-20/h1-4,7-8H,5-6H2
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n/an/a 820n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385287
PNG
(CHEMBL2035476)
Show SMILES Fc1ccc2[se]n(CCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C17H12F2N2O2Se2/c18-10-2-4-14-12(8-10)16(22)20(24-14)6-1-7-21-17(23)13-9-11(19)3-5-15(13)25-21/h2-5,8-9H,1,6-7H2
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n/an/a 860n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385301
PNG
(CHEMBL2035462)
Show SMILES O=c1n(CCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C18H16N2O2Se2/c21-17-13-7-1-3-9-15(13)23-19(17)11-5-6-12-20-18(22)14-8-2-4-10-16(14)24-20/h1-4,7-10H,5-6,11-12H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385292
PNG
(CHEMBL2035471)
Show SMILES Cc1ccc2[se]n(CCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C19H18N2O2Se2/c1-12-4-6-16-14(10-12)18(22)20(24-16)8-3-9-21-19(23)15-11-13(2)5-7-17(15)25-21/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385293
PNG
(CHEMBL2035470)
Show SMILES Cc1ccc2[se]n(CCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C18H16N2O2Se2/c1-11-3-5-15-13(9-11)17(21)19(23-15)7-8-20-18(22)14-10-12(2)4-6-16(14)24-20/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385283
PNG
(CHEMBL2035480)
Show SMILES Clc1ccc2[se]n(CCn3[se]c4ccc(Cl)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C16H10Cl2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385281
PNG
(CHEMBL2035482)
Show SMILES Brc1ccc2[se]n(CCn3[se]c4ccc(Br)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C16H10Br2N2O2Se2/c17-9-1-3-13-11(7-9)15(21)19(23-13)5-6-20-16(22)12-8-10(18)2-4-14(12)24-20/h1-4,7-8H,5-6H2
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n/an/a 1.58E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385280
PNG
(CHEMBL2035483)
Show SMILES Brc1ccc2[se]n(CCCCCn3[se]c4ccc(Br)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C19H16Br2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385286
PNG
(CHEMBL2035477)
Show SMILES Fc1ccc2[se]n(CCCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C18H14F2N2O2Se2/c19-11-3-5-15-13(9-11)17(23)21(25-15)7-1-2-8-22-18(24)14-10-12(20)4-6-16(14)26-22/h3-6,9-10H,1-2,7-8H2
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n/an/a 1.64E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385299
PNG
(CHEMBL2035464 | US8592468, EbSe16)
Show SMILES O=c1n(CCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C20H20N2O2Se2/c23-19-15-9-3-5-11-17(15)25-21(19)13-7-1-2-8-14-22-20(24)16-10-4-6-12-18(16)26-22/h3-6,9-12H,1-2,7-8,13-14H2
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n/an/a 1.66E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385282
PNG
(CHEMBL2035481)
Show SMILES Clc1ccc2[se]n(CCCCCn3[se]c4ccc(Cl)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C19H16Cl2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385300
PNG
(CHEMBL2035463)
Show SMILES O=c1n(CCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C19H18N2O2Se2/c22-18-14-8-2-4-10-16(14)24-20(18)12-6-1-7-13-21-19(23)15-9-3-5-11-17(15)25-21/h2-5,8-11H,1,6-7,12-13H2
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n/an/a 1.95E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385305
PNG
(CHEMBL2035472)
Show SMILES Cc1ccc2[se]n(CCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C20H20N2O2Se2/c1-13-5-7-17-15(11-13)19(23)21(25-17)9-3-4-10-22-20(24)16-12-14(2)6-8-18(16)26-22/h5-8,11-12H,3-4,9-10H2,1-2H3
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n/an/a 2.38E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236287
PNG
(CHEMBL4071967)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 2.80E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385276
PNG
(CHEMBL2035487)
Show SMILES Clc1ccc2c(c1)[se]n(CCn1[se]c3cc(Cl)ccc3c1=O)c2=O
Show InChI InChI=1S/C16H10Cl2N2O2Se2/c17-9-1-3-11-13(7-9)23-19(15(11)21)5-6-20-16(22)12-4-2-10(18)8-14(12)24-20/h1-4,7-8H,5-6H2
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n/an/a 2.87E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385277
PNG
(CHEMBL2035486)
Show SMILES Fc1ccc2c(c1)[se]n(CCCCCn1[se]c3cc(F)ccc3c1=O)c2=O
Show InChI InChI=1S/C19H16F2N2O2Se2/c20-12-4-6-14-16(10-12)26-22(18(14)24)8-2-1-3-9-23-19(25)15-7-5-13(21)11-17(15)27-23/h4-7,10-11H,1-3,8-9H2
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n/an/a 2.91E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385291
PNG
(CHEMBL2035473)
Show SMILES Cc1ccc2[se]n(CCCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C21H22N2O2Se2/c1-14-6-8-18-16(12-14)20(24)22(26-18)10-4-3-5-11-23-21(25)17-13-15(2)7-9-19(17)27-23/h6-9,12-13H,3-5,10-11H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236319
PNG
(CHEMBL4101407)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 3.80E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385285
PNG
(CHEMBL2035478)
Show SMILES Fc1ccc2[se]n(CCCCCn3[se]c4ccc(F)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C19H16F2N2O2Se2/c20-12-4-6-16-14(10-12)18(24)22(26-16)8-2-1-3-9-23-19(25)15-11-13(21)5-7-17(15)27-23/h4-7,10-11H,1-3,8-9H2
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n/an/a 3.87E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236321
PNG
(CHEMBL4097389)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 4.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236287
PNG
(CHEMBL4071967)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 4.10E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50333880
PNG
(CHEMBL1614664 | Hypericin | Pseudohypericin)
Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
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n/an/a 4.41E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver cytosolic TrxR1 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385297
PNG
(CHEMBL2035466)
Show SMILES O=c1n(CCCCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C22H24N2O2Se2/c25-21-17-11-5-7-13-19(17)27-23(21)15-9-3-1-2-4-10-16-24-22(26)18-12-6-8-14-20(18)28-24/h5-8,11-14H,1-4,9-10,15-16H2
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n/an/a 4.49E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385275
PNG
(CHEMBL2035488)
Show SMILES Clc1ccc2c(c1)[se]n(CCCCCn1[se]c3cc(Cl)ccc3c1=O)c2=O
Show InChI InChI=1S/C19H16Cl2N2O2Se2/c20-12-4-6-14-16(10-12)26-22(18(14)24)8-2-1-3-9-23-19(25)15-7-5-13(21)11-17(15)27-23/h4-7,10-11H,1-3,8-9H2
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n/an/a 4.54E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236290
PNG
(CHEMBL4083419)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:33,t:1|
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n/an/a 4.60E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236323
PNG
(CHEMBL4070144)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:34,t:1|
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n/an/a 4.60E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385290
PNG
(CHEMBL2035474)
Show SMILES Cc1ccc2[se]n(CCCCCCn3[se]c4ccc(C)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C22H24N2O2Se2/c1-15-7-9-19-17(13-15)21(25)23(27-19)11-5-3-4-6-12-24-22(26)18-14-16(2)8-10-20(18)28-24/h7-10,13-14H,3-6,11-12H2,1-2H3
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n/an/a 4.91E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236321
PNG
(CHEMBL4097389)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 5.70E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385298
PNG
(CHEMBL2035465)
Show SMILES O=c1n(CCCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C21H22N2O2Se2/c24-20-16-10-4-6-12-18(16)26-22(20)14-8-2-1-3-9-15-23-21(25)17-11-5-7-13-19(17)27-23/h4-7,10-13H,1-3,8-9,14-15H2
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n/an/a 5.85E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236320
PNG
(CHEMBL4091106)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:35,t:1|
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n/an/a 5.90E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385303
PNG
(CHEMBL2035460 | US8592468, EbSe14)
Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat TrxR1


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236319
PNG
(CHEMBL4101407)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6|
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n/an/a 6.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236289
PNG
(CHEMBL4082453)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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n/an/a 6.70E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236282
PNG
(CHEMBL4104895)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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n/an/a 6.90E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236323
PNG
(CHEMBL4070144)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:34,t:1|
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n/an/a 7.50E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236290
PNG
(CHEMBL4083419)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:33,t:1|
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n/an/a 8.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236285
PNG
(CHEMBL4098009)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236320
PNG
(CHEMBL4091106)
Show SMILES Cl.NC1=NC2(CCCC2)N(OCCCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:35,t:1|
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UniChem
Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50385284
PNG
(CHEMBL2035479)
Show SMILES Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 |(-10.91,4.24,;-9.58,3.48,;-9.58,1.93,;-8.25,1.16,;-6.92,1.93,;-5.44,1.45,;-4.53,2.71,;-2.99,2.71,;-2.23,1.38,;-.7,1.37,;.08,2.7,;-.69,4.04,;-2.23,4.05,;1.62,2.69,;2.57,1.47,;4.03,1.99,;5.39,1.27,;6.7,2.08,;6.64,3.62,;7.95,4.43,;5.29,4.35,;3.98,3.54,;2.49,3.97,;1.97,5.42,;-5.44,3.96,;-4.97,5.43,;-6.92,3.48,;-8.25,4.25,)|
Show InChI InChI=1S/C21H19FN2O2Se2/c1-12-2-8-18-16(10-12)20(25)23(27-18)14-4-6-15(7-5-14)24-21(26)17-11-13(22)3-9-19(17)28-24/h2-3,8-11,14-15H,4-7H2,1H3
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PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay


Bioorg Med Chem 20: 3816-27 (2012)


Article DOI: 10.1016/j.bmc.2012.04.033
BindingDB Entry DOI: 10.7270/Q2V69KND
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236285
PNG
(CHEMBL4098009)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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UniChem

Patents

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236282
PNG
(CHEMBL4104895)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras


J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50236289
PNG
(CHEMBL4082453)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6|
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UniChem

Patents

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL




J Med Chem 60: 1734-1745 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01253
More data for this
Ligand-Target Pair
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