BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase' AND taxid = 83332   
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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
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


(Mycobacterium tuberculosis)
BDBM50435857
PNG
(CHEMBL2393579)
Show SMILES COc1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1
Show InChI InChI=1S/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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


(Mycobacterium tuberculosis)
BDBM50435854
PNG
(CHEMBL2393583)
Show SMILES CC(N1CCC(CCC(=O)Nc2ccccc2)CC1)c1c[nH]nc1-c1ccccc1
Show InChI InChI=1S/C25H30N4O/c1-19(23-18-26-28-25(23)21-8-4-2-5-9-21)29-16-14-20(15-17-29)12-13-24(30)27-22-10-6-3-7-11-22/h2-11,18-20H,12-17H2,1H3,(H,26,28)(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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


(Mycobacterium tuberculosis)
BDBM50435849
PNG
(CHEMBL2391046)
Show SMILES Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-5-4-6-18(20)16(17)13-21-14-7-9-15(10-8-14)22-11-2-1-3-12-22/h4-10,21H,1-3,11-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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


(Mycobacterium tuberculosis)
BDBM50435850
PNG
(CHEMBL2391045)
Show SMILES C(Nc1ccc(cc1)N1CCCCC1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3S/c1-4-12-22(13-5-1)16-10-8-15(9-11-16)20-14-19-21-17-6-2-3-7-18(17)23-19/h2-3,6-11,20H,1,4-5,12-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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


(Mycobacterium tuberculosis)
BDBM50435855
PNG
(CHEMBL2393581)
Show SMILES OC(=O)[C@H](Cc1cc2ccccc2[nH]1)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-20(25)19(10-15-9-13-5-1-3-7-17(13)23-15)22-12-14-11-21-18-8-4-2-6-16(14)18/h1-9,11,19,21-23H,10,12H2,(H,24,25)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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


(Mycobacterium tuberculosis)
BDBM50435851
PNG
(CHEMBL2391044)
Show SMILES Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C11H16N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.34E+4n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
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


(Mycobacterium tuberculosis)
BDBM50435853
PNG
(CHEMBL2393584)
Show SMILES Nc1nc(cs1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C12H8N2O3S/c13-12-14-9(5-18-12)8-3-6-1-2-7(15)4-10(6)17-11(8)16/h1-5,15H,(H2,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

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



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
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


(Mycobacterium tuberculosis)
BDBM50435856
PNG
(CHEMBL2393580)
Show SMILES CSCCNC1CCN(CC1)c1ccc(NC(=O)CCCCc2ccccc2)cc1
Show InChI InChI=1S/C25H35N3OS/c1-30-20-17-26-22-15-18-28(19-16-22)24-13-11-23(12-14-24)27-25(29)10-6-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,22,26H,5-6,9-10,15-20H2,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

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



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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))
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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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))
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
Thioredoxin reductase


(Mycobacterium tuberculosis)
BDBM50435852
PNG
(CHEMBL2393585)
Show SMILES Nc1c(c(O)cn1-c1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H16N4O3S2/c20-18-17(19-22-15(11-27-19)12-4-2-1-3-5-12)16(24)10-23(18)13-6-8-14(9-7-13)28(21,25)26/h1-11,24H,20H2,(H2,21,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis


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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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