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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P61076   
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


(Plasmodium falciparum (isolate 3D7))
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
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CHEMBL
PC cid
PC sid
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Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin


Bioorg Med Chem Lett 16: 2283-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.027
BindingDB Entry DOI: 10.7270/Q2FB52HJ
More data for this
Ligand-Target Pair
Thioredoxin reductase


(Plasmodium falciparum (isolate 3D7))
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to Plasmodium falciparum TrxR in presence of NADPH


Bioorg Med Chem Lett 16: 2283-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.027
BindingDB Entry DOI: 10.7270/Q2FB52HJ
More data for this
Ligand-Target Pair
Thioredoxin reductase


(Plasmodium falciparum (isolate 3D7))
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
650n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin


Bioorg Med Chem Lett 16: 2283-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.027
BindingDB Entry DOI: 10.7270/Q2FB52HJ
More data for this
Ligand-Target Pair
Thioredoxin reductase


(Plasmodium falciparum (isolate 3D7))
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to Plasmodium falciparum TrxR in presence of NADPH


Bioorg Med Chem Lett 16: 2283-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.027
BindingDB Entry DOI: 10.7270/Q2FB52HJ
More data for this
Ligand-Target Pair