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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'douni' and Initial = 'ek'   
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 S-transferase A1


(Homo sapiens (Human))
BDBM50054198
PNG
(CHEMBL3310888)
Show SMILES Oc1ccccc1C(=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H
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360n/an/an/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054196
PNG
(CHEMBL3310887)
Show SMILES [#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8]
Show InChI InChI=1S/C20H16N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,23-24H,(H,22,25)
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380n/an/an/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054194
PNG
(CHEMBL3310886)
Show SMILES Oc1ccccc1C(=O)c1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C19H14O3/c20-17-9-5-4-8-15(17)19(22)16-12-14(10-11-18(16)21)13-6-2-1-3-7-13/h1-12,20-21H
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1.47E+3n/an/an/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054205
PNG
(CHEMBL3310889)
Show SMILES CC(=O)N\N=C(\c1ccccc1O)c1cc(Br)ccc1O
Show InChI InChI=1S/C15H13BrN2O3/c1-9(19)17-18-15(11-4-2-3-5-13(11)20)12-8-10(16)6-7-14(12)21/h2-8,20-21H,1H3,(H,17,19)/b18-15-
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1.75E+3n/an/an/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054205
PNG
(CHEMBL3310889)
Show SMILES CC(=O)N\N=C(\c1ccccc1O)c1cc(Br)ccc1O
Show InChI InChI=1S/C15H13BrN2O3/c1-9(19)17-18-15(11-4-2-3-5-13(11)20)12-8-10(16)6-7-14(12)21/h2-8,20-21H,1H3,(H,17,19)/b18-15-
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n/an/a 180n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054198
PNG
(CHEMBL3310888)
Show SMILES Oc1ccccc1C(=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H
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n/an/a 240n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054196
PNG
(CHEMBL3310887)
Show SMILES [#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8]
Show InChI InChI=1S/C20H16N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,23-24H,(H,22,25)
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n/an/a 330n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair
Glutathione S-transferase A1


(Homo sapiens (Human))
BDBM50054194
PNG
(CHEMBL3310886)
Show SMILES Oc1ccccc1C(=O)c1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C19H14O3/c20-17-9-5-4-8-15(17)19(22)16-12-14(10-11-18(16)21)13-6-2-1-3-7-13/h1-12,20-21H
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n/an/a 1.77E+3n/an/an/an/an/an/a



Agricultural University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH


Bioorg Med Chem 22: 3957-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.007
BindingDB Entry DOI: 10.7270/Q28P625B
More data for this
Ligand-Target Pair