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PubMed code 17194585

Compile data set for download or QSAR
Found 3 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))		BDBM50201552
PNG
(1-(3,4-dichlorophenyl)-2-(2-imino-3-(2-(piperidin-...)
Show SMILES OC(Cn1c2ccccc2n(CCN2CCCCC2)c1=N)c1ccc(Cl)c(Cl)c1 |w:1.0|
Show InChI InChI=1S/C22H26Cl2N4O/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26/h2-3,6-9,14,21,25,29H,1,4-5,10-13,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase

Bioorg Med Chem Lett 17: 1422-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.090
BindingDB Entry DOI: 10.7270/Q27M07KH
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))		BDBM50201554
PNG
(1-benzyl-3-(2-(2-(2-(3-benzyl-2-imino-2,3-dihydrob...)
Show SMILES N=c1n(CCOCCOCCn2c3ccccc3n(Cc3ccccc3)c2=N)c2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C34H36N6O2/c35-33-37(29-15-7-9-17-31(29)39(33)25-27-11-3-1-4-12-27)19-21-41-23-24-42-22-20-38-30-16-8-10-18-32(30)40(34(38)36)26-28-13-5-2-6-14-28/h1-18,35-36H,19-26H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase

Bioorg Med Chem Lett 17: 1422-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.090
BindingDB Entry DOI: 10.7270/Q27M07KH
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))		BDBM50201545
PNG
(1-(3,4-dichlorophenyl)-2-(3-(2-(dimethylamino)ethy...)
Show SMILES CN(C)CCn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N |w:14.15|
Show InChI InChI=1S/C19H22Cl2N4O/c1-23(2)9-10-24-16-5-3-4-6-17(16)25(19(24)22)12-18(26)13-7-8-14(20)15(21)11-13/h3-8,11,18,22,26H,9-10,12H2,1-2H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase

Bioorg Med Chem Lett 17: 1422-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.090
BindingDB Entry DOI: 10.7270/Q27M07KH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%