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Compile Data Set for Download or QSAR

Found 105 hits of ic50 data for polymerid = 50004160   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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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PubMed
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
Show InChI InChI=1S/C23H27N5O3.ClH/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18;/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27);1H/b13-12+;
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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)

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
Show InChI InChI=1S/C24H29N5O3.ClH/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-9-18(17-20)13-14-21(30)19-10-4-3-5-11-19;/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28);1H/b14-13+;
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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)

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
Show InChI InChI=1S/C22H25N5O3.ClH/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-7-16(15-18)11-12-19(28)17-8-4-3-5-9-17;/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26);1H/b12-11+;
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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)

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
Show InChI InChI=1S/C23H27N5O3.ClH/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-8-17(16-19)12-13-20(29)18-9-4-3-5-10-18;/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27);1H/b13-12+;
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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)

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
Show InChI InChI=1S/C24H27N5O3.ClH/c25-22-27-23(26)29(24(28-22)13-4-5-14-24)32-16-15-31-20-10-6-9-19(17-20)21(30)12-11-18-7-2-1-3-8-18;/h1-3,6-12,17H,4-5,13-16H2,(H4,25,26,27,28);1H/b12-11+;
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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)

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
Show InChI InChI=1S/C25H29N5O3.ClH/c26-23-28-24(27)30(25(29-23)14-4-5-15-25)33-17-7-16-32-21-11-6-10-20(18-21)22(31)13-12-19-8-2-1-3-9-19;/h1-3,6,8-13,18H,4-5,7,14-17H2,(H4,26,27,28,29);1H/b13-12+;
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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
Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C22H25N5O3.ClH/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-7-16(15-18)11-12-19(28)17-8-4-3-5-9-17;/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26);1H/b12-11+;
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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)

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
Show InChI InChI=1S/C26H31N5O3.ClH/c27-24-29-25(28)31(26(30-24)15-4-5-16-26)34-18-7-6-17-33-22-12-8-11-21(19-22)23(32)14-13-20-9-2-1-3-10-20;/h1-3,8-14,19H,4-7,15-18H2,(H4,27,28,29,30);1H/b14-13+;
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n/an/a 5.90E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C24H29N5O3.ClH/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-9-18(17-20)13-14-21(30)19-10-4-3-5-11-19;/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28);1H/b14-13+;
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n/an/a 6.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C24H29N5O3.ClH/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-11-19(17-20)21(30)14-13-18-9-4-3-5-10-18;/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28);1H/b14-13+;
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n/an/a 6.70E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C22H25N5O3.ClH/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-9-17(15-18)19(28)12-11-16-7-4-3-5-8-16;/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26);1H/b12-11+;
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n/an/a 6.90E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C25H29N5O3.ClH/c26-23-28-24(27)30(25(29-23)14-4-5-15-25)33-17-7-16-32-21-11-6-10-20(18-21)22(31)13-12-19-8-2-1-3-9-19;/h1-3,6,8-13,18H,4-5,7,14-17H2,(H4,26,27,28,29);1H/b13-12+;
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n/an/a 7.50E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C24H27N5O3.ClH/c25-22-27-23(26)29(24(28-22)13-4-5-14-24)32-16-15-31-20-10-6-9-19(17-20)21(30)12-11-18-7-2-1-3-8-18;/h1-3,6-12,17H,4-5,13-16H2,(H4,25,26,27,28);1H/b12-11+;
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n/an/a 8.00E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C23H27N5O3.ClH/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17;/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27);1H/b13-12+;
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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)

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
Show InChI InChI=1S/C26H31N5O3.ClH/c27-24-29-25(28)31(26(30-24)15-4-5-16-26)34-18-7-6-17-33-22-12-8-11-21(19-22)23(32)14-13-20-9-2-1-3-10-20;/h1-3,8-14,19H,4-7,15-18H2,(H4,27,28,29,30);1H/b14-13+;
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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)

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
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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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
Show InChI InChI=1S/C23H27N5O3.ClH/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17;/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27);1H/b13-12+;
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n/an/a 1.08E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

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
Show InChI InChI=1S/C22H25N5O3.ClH/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-9-17(15-18)19(28)12-11-16-7-4-3-5-8-16;/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26);1H/b12-11+;
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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)

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
Show InChI InChI=1S/C24H29N5O3.ClH/c1-24(2)28-22(25)27-23(26)29(24)32-16-7-6-15-31-20-12-8-11-19(17-20)21(30)14-13-18-9-4-3-5-10-18;/h3-5,8-14,17H,6-7,15-16H2,1-2H3,(H4,25,26,27,28);1H/b14-13+;
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n/an/a 1.12E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay


J Med Chem 60: 1734-1745 (2017)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
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<1.25E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant TrxR1 after 10 mins


J Med Chem 52: 6474-83 (2009)


Article DOI: 10.1021/jm901021k
BindingDB Entry DOI: 10.7270/Q2TH8MS1
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
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<1.25E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant TrxR1 after 10 mins


J Med Chem 52: 6474-83 (2009)


Article DOI: 10.1021/jm901021k
BindingDB Entry DOI: 10.7270/Q2TH8MS1
More data for this
Ligand-Target Pair
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