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PubMed code 17967916

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
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Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



Biochemie-Zentrum der Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant glutathione reductase at pH 6.9


Antimicrob Agents Chemother 52: 183-91 (2007)


Article DOI: 10.1128/AAC.00773-07
BindingDB Entry DOI: 10.7270/Q21V5F0T
More data for this
Ligand-Target Pair
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
PDB

KEGG

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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Biochemie-Zentrum der Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TrxR1 at pH 7.4


Antimicrob Agents Chemother 52: 183-91 (2007)


Article DOI: 10.1128/AAC.00773-07
BindingDB Entry DOI: 10.7270/Q21V5F0T
More data for this
Ligand-Target Pair
Dihydrolipoamide dehydrogenase


(Sus scrofa)
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Biochemie-Zentrum der Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant dihydrolipoamide dehydrogenase at pH 7.3


Antimicrob Agents Chemother 52: 183-91 (2007)


Article DOI: 10.1128/AAC.00773-07
BindingDB Entry DOI: 10.7270/Q21V5F0T
More data for this
Ligand-Target Pair
Dihydrolipoyl dehydrogenase


(Plasmodium falciparum)
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
KEGG

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Biochemie-Zentrum der Universit£t Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant dihydrolipoamide dehydrogenase at pH 7.3


Antimicrob Agents Chemother 52: 183-91 (2007)


Article DOI: 10.1128/AAC.00773-07
BindingDB Entry DOI: 10.7270/Q21V5F0T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%