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PubMed code 12852938

Compile data set for download or QSAR
Found 7 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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130926
PNG
(CHEMBL79275 | N-(3,4-Dihydroxy-phenyl)-4-(2-hydrox...)
Show SMILES Oc1ccc(NC(=O)c2ccc(NCc3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C20H18N2O4/c23-17-4-2-1-3-14(17)12-21-15-7-5-13(6-8-15)20(26)22-16-9-10-18(24)19(25)11-16/h1-11,21,23-25H,12H2,(H,22,26)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130921
PNG
(CHEMBL421710 | N-(4-{[(3,4-dihydroxyphenyl)amino]c...)
Show SMILES Oc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C20H16N2O5/c23-16-4-2-1-3-15(16)20(27)21-13-7-5-12(6-8-13)19(26)22-14-9-10-17(24)18(25)11-14/h1-11,23-25H,(H,21,27)(H,22,26)
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n/an/a 1.27E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130925
PNG
(CHEMBL81848 | N-{4-[2-(3,4-Dihydroxy-phenylcarbamo...)
Show SMILES Oc1ccc(NC(=O)CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C22H20N2O5/c25-18-4-2-1-3-17(18)22(29)24-15-8-5-14(6-9-15)7-12-21(28)23-16-10-11-19(26)20(27)13-16/h1-6,8-11,13,25-27H,7,12H2,(H,23,28)(H,24,29)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130920
PNG
(CHEMBL420775 | N-{4-[2-(3,4-Dihydroxy-phenylcarbam...)
Show SMILES Oc1ccc(NC(=O)\C=C\c2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C22H18N2O5/c25-18-4-2-1-3-17(18)22(29)24-15-8-5-14(6-9-15)7-12-21(28)23-16-10-11-19(26)20(27)13-16/h1-13,25-27H,(H,23,28)(H,24,29)/b12-7+
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n/an/a 1.47E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130928
PNG
(CHEMBL79402 | N-{4-[3-(3,4-Dihydroxy-phenyl)-ureid...)
Show SMILES Oc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C20H17N3O5/c24-16-4-2-1-3-15(16)19(27)21-12-5-7-13(8-6-12)22-20(28)23-14-9-10-17(25)18(26)11-14/h1-11,24-26H,(H,21,27)(H2,22,23,28)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130923
PNG
(CHEMBL81583 | N-{3-[2-(3,4-Dihydroxy-phenylcarbamo...)
Show SMILES Oc1ccc(NC(=O)CCc2cccc(NC(=O)c3ccccc3O)c2)cc1O
Show InChI InChI=1S/C22H20N2O5/c25-18-7-2-1-6-17(18)22(29)24-15-5-3-4-14(12-15)8-11-21(28)23-16-9-10-19(26)20(27)13-16/h1-7,9-10,12-13,25-27H,8,11H2,(H,23,28)(H,24,29)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50130924
PNG
(CHEMBL79109 | N-{4-[3-(3,4-Dihydroxy-phenyl)-thiou...)
Show SMILES Oc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C20H17N3O4S/c24-16-4-2-1-3-15(16)19(27)21-12-5-7-13(8-6-12)22-20(28)23-14-9-10-17(25)18(26)11-14/h1-11,24-26H,(H,21,27)(H2,22,23,28)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Aston University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase

Bioorg Med Chem Lett 13: 2435-9 (2003)


BindingDB Entry DOI: 10.7270/Q2MK6C8G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%