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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutathione reductase, mitochondrial' and Ligand = 'BDBM50177103'   
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, mitochondrial


(Homo sapiens (Human))
BDBM50177103
PNG
(1-(2'-chlorophenyl)penta-1,4-dien-3-one | CHEMBL22...)
Show SMILES Clc1ccccc1\C=C\C(=O)C=C
Show InChI InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Biochemie-Zentrum der Universität Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase after 5 mins preincubation with NADPH in presence of 500 uM GSSG substrate


J Med Chem 48: 7400-10 (2005)


Article DOI: 10.1021/jm0504860
BindingDB Entry DOI: 10.7270/Q23X8662
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))
BDBM50177103
PNG
(1-(2'-chlorophenyl)penta-1,4-dien-3-one | CHEMBL22...)
Show SMILES Clc1ccccc1\C=C\C(=O)C=C
Show InChI InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



Biochemie-Zentrum der Universität Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase in presence of 50 uM GSSG substrate


J Med Chem 48: 7400-10 (2005)


Article DOI: 10.1021/jm0504860
BindingDB Entry DOI: 10.7270/Q23X8662
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))
BDBM50177103
PNG
(1-(2'-chlorophenyl)penta-1,4-dien-3-one | CHEMBL22...)
Show SMILES Clc1ccccc1\C=C\C(=O)C=C
Show InChI InChI=1S/C11H9ClO/c1-2-10(13)8-7-9-5-3-4-6-11(9)12/h2-8H,1H2/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



Biochemie-Zentrum der Universität Heidelberg

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase in presence of 500 uM GSSG substrate


J Med Chem 48: 7400-10 (2005)


Article DOI: 10.1021/jm0504860
BindingDB Entry DOI: 10.7270/Q23X8662
More data for this
Ligand-Target Pair