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PubMed code 21740105

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, mitochondrial


(Homo sapiens (Human))		BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
 800 -34.8 1.20E+4n/an/an/an/a8.025



Ataturk University



Assay Description
GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...

J Enzyme Inhib Med Chem 27: 18-23 (2012)


Article DOI: 10.3109/14756366.2011.572879
BindingDB Entry DOI: 10.7270/Q20K27GD
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))		BDBM50056998
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12|
Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
 6.10E+3 -29.8 2.90E+4n/an/an/an/a8.025



Ataturk University



Assay Description
GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...

J Enzyme Inhib Med Chem 27: 18-23 (2012)


Article DOI: 10.3109/14756366.2011.572879
BindingDB Entry DOI: 10.7270/Q20K27GD
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))		BDBM235694
PNG
(Phenyramidol-HCl)
Show SMILES OC(CNc1ccccn1)c1ccccc1
Show InChI InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 4.34E+5 -19.2 9.90E+5n/an/an/an/a8.025



Ataturk University



Assay Description
GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...

J Enzyme Inhib Med Chem 27: 18-23 (2012)


Article DOI: 10.3109/14756366.2011.572879
BindingDB Entry DOI: 10.7270/Q20K27GD
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))		BDBM233150
PNG
(Gadopentetic acid)
Show SMILES OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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DrugBank
MCE
PC cid
PC sid
UniChem
Article
PubMed
 2.88E+7 -8.79 1.38E+8n/an/an/an/a8.025



Ataturk University



Assay Description
GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...

J Enzyme Inhib Med Chem 27: 18-23 (2012)


Article DOI: 10.3109/14756366.2011.572879
BindingDB Entry DOI: 10.7270/Q20K27GD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%