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PubMed code 23047230

Compile data set for download or QSAR
Found 13 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))		BDBM50391177
PNG
(CHEMBL2088235)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-12-13-23-21(17-22)11-14-24(25)27-23/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391176
PNG
(CHEMBL2088234)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12
Show InChI InChI=1S/C24H30O3/c1-18(2)8-5-9-19(3)10-6-11-20(4)16-17-26-22-12-7-13-23-21(22)14-15-24(25)27-23/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3/b19-10+,20-16+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391172
PNG
(CHEMBL2088232)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-8-9-18-16(13-17)7-10-19(20)22-18/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391171
PNG
(CHEMBL2088231)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2oc(=O)ccc12
Show InChI InChI=1S/C19H22O3/c1-14(2)6-4-7-15(3)12-13-21-17-8-5-9-18-16(17)10-11-19(20)22-18/h5-6,8-12H,4,7,13H2,1-3H3/b15-12+
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n/an/a 1.28E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391178
PNG
(CHEMBL2088236)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(=O)oc12
Show InChI InChI=1S/C24H30O3/c1-18(2)8-5-9-19(3)10-6-11-20(4)16-17-26-22-13-7-12-21-14-15-23(25)27-24(21)22/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3/b19-10+,20-16+
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n/an/a 1.56E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50143435
PNG
(7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
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n/an/a 1.67E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50361373
PNG
(AURAPTENE)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
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n/an/a 2.39E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391175
PNG
(CHEMBL177085)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C24H30O3/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-26-23-17-24(25)27-22-14-6-5-13-21(22)23/h5-6,9,11,13-15,17H,7-8,10,12,16H2,1-4H3/b19-11+,20-15+
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n/an/a 2.88E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391173
PNG
(CHEMBL2088233)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2ccc(=O)oc12
Show InChI InChI=1S/C19H22O3/c1-14(2)6-4-7-15(3)12-13-21-17-9-5-8-16-10-11-18(20)22-19(16)17/h5-6,8-12H,4,7,13H2,1-3H3/b15-12+
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n/an/a 3.95E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391170
PNG
(CHEMBL2088230)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C19H22O3/c1-14(2)7-6-8-15(3)11-12-21-18-13-19(20)22-17-10-5-4-9-16(17)18/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+
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n/an/a 4.26E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391174
PNG
(CHEMBL1834532)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C24H30O3/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-26-23-17-21-13-5-6-14-22(21)27-24(23)25/h5-6,9,11,13-15,17H,7-8,10,12,16H2,1-4H3/b19-11+,20-15+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391179
PNG
(CHEMBL2088237)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccccc1
Show InChI InChI=1S/C21H30O/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50391169
PNG
(CHEMBL2086412)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C19H22O3/c1-14(2)7-6-8-15(3)11-12-21-18-13-16-9-4-5-10-17(16)22-19(18)20/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method

Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%