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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase' AND taxid = 9606   
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 reductase


(Homo sapiens-Homo sapiens (Human))
BDBM50182130
PNG
(4,6-dinitrobenzo[c][1,2,5]thiadiazole | CHEMBL2061...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2nsnc2c1
Show InChI InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182122
PNG
(CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182128
PNG
(4-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL383084)
Show SMILES [O-][N+](=O)c1cccc2nsnc12
Show InChI InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182121
PNG
(4,5-dinitrobenzo[d][1,3]dioxole | CHEMBL206829)
Show SMILES [O-][N+](=O)c1ccc2OCOc2c1[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O6/c10-8(11)4-1-2-5-7(15-3-14-5)6(4)9(12)13/h1-2H,3H2
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182129
PNG
(5-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL206713)
Show SMILES [O-][N+](=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50068343
PNG
(2-Chloro-1,3-dinitro-5-trifluoromethyl-benzene | 2...)
Show SMILES [O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182124
PNG
(6,7-dinitroquinoxaline | CHEMBL380953)
Show SMILES [O-][N+](=O)c1cc2nccnc2cc1[N+]([O-])=O
Show InChI InChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182125
PNG
(CHEMBL204687 | bis(2-nitro-4-(trifluoromethyl)phen...)
Show SMILES [O-][N+](=O)c1cc(ccc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182127
PNG
(6-nitroquinoxaline | CHEMBL380630 | TCMDC-123943)
Show SMILES [O-][N+](=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50023678
PNG
(5-Nitrobenzo[D][1,3]Dioxole | CHEMBL379408)
Show SMILES [O-][N+](=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


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


(Homo sapiens-Homo sapiens (Human))
BDBM50182126
PNG
(1,3-dinitro-5-(trifluoromethyl)benzene | CHEMBL380...)
Show SMILES [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human TrxR


Citation and Details
More data for this
Ligand-Target Pair