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PubMed code 16480270

Compile data set for download or QSAR
Found 40 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))		BDBM50182514
PNG
(CHEMBL201969 | N'-[(2-chloro-4-methylbenzoyl)oxy]-...)
Show SMILES Cc1cccc(c1)C(N)=NOC(=O)c1ccc(C)cc1Cl |w:9.10|
Show InChI InChI=1S/C16H15ClN2O2/c1-10-4-3-5-12(8-10)15(18)19-21-16(20)13-7-6-11(2)9-14(13)17/h3-9H,1-2H3,(H2,18,19)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182501
PNG
(4-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-d...)
Show SMILES CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-2-11-8-13(15(21)9-14(11)20)17-16(10-18-19-17)22-12-6-4-3-5-7-12/h3-10,20-21H,2H2,1H3,(H,18,19)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182501
PNG
(4-ethyl-6-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-d...)
Show SMILES CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-2-11-8-13(15(21)9-14(11)20)17-16(10-18-19-17)22-12-6-4-3-5-7-12/h3-10,20-21H,2H2,1H3,(H,18,19)
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182516
PNG
(2-amino-N-(3-chlorophenyl)-4,5,6,7-tetrahydrobenzo...)
Show SMILES Nc1sc2CCCCc2c1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN2OS/c16-9-4-3-5-10(8-9)18-15(19)13-11-6-1-2-7-12(11)20-14(13)17/h3-5,8H,1-2,6-7,17H2,(H,18,19)
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182516
PNG
(2-amino-N-(3-chlorophenyl)-4,5,6,7-tetrahydrobenzo...)
Show SMILES Nc1sc2CCCCc2c1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN2OS/c16-9-4-3-5-10(8-9)18-15(19)13-11-6-1-2-7-12(11)20-14(13)17/h3-5,8H,1-2,6-7,17H2,(H,18,19)
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n/an/a 3.07E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182510
PNG
(CHEMBL202582 | N-(3-(2-methylbenzamido)phenyl)thio...)
Show SMILES Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C19H16N2O2S/c1-13-6-2-3-9-16(13)18(22)20-14-7-4-8-15(12-14)21-19(23)17-10-5-11-24-17/h2-12H,1H3,(H,20,22)(H,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182504
PNG
(3-chloro-4-ethoxy-N-(2-(pyrrolidin-1-yl)phenyl)ben...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C19H21ClN2O2/c1-2-24-18-10-9-14(13-15(18)20)19(23)21-16-7-3-4-8-17(16)22-11-5-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182509
PNG
(CHEMBL381113 | N-(3-(2-methoxybenzamido)phenyl)thi...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C19H16N2O3S/c1-24-16-9-3-2-8-15(16)18(22)20-13-6-4-7-14(12-13)21-19(23)17-10-5-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182497
PNG
(2-(benzylthio)-N-(3-chloro-2-methylphenyl)acetamid...)
Show SMILES Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1
Show InChI InChI=1S/C16H16ClNOS/c1-12-14(17)8-5-9-15(12)18-16(19)11-20-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182508
PNG
(CHEMBL201191 | ethyl 2-(4-phenylbutanamido)benzoat...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-2-23-19(22)16-12-6-7-13-17(16)20-18(21)14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182504
PNG
(3-chloro-4-ethoxy-N-(2-(pyrrolidin-1-yl)phenyl)ben...)
Show SMILES CCOc1ccc(cc1Cl)C(=O)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C19H21ClN2O2/c1-2-24-18-10-9-14(13-15(18)20)19(23)21-16-7-3-4-8-17(16)22-11-5-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182513
PNG
(CHEMBL204926 | ethyl 1-(3-(3,5-dimethylphenylamino...)
Show SMILES CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1
Show InChI InChI=1S/C19H28N2O3/c1-4-24-19(23)16-5-8-21(9-6-16)10-7-18(22)20-17-12-14(2)11-15(3)13-17/h11-13,16H,4-10H2,1-3H3,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182515
PNG
(5-(2-methoxybenzyloxy)-7-methyl-4-phenyl-2H-chrome...)
Show SMILES COc1ccccc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
Show InChI InChI=1S/C24H20O4/c1-16-12-21(27-15-18-10-6-7-11-20(18)26-2)24-19(17-8-4-3-5-9-17)14-23(25)28-22(24)13-16/h3-14H,15H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182498
PNG
(1-(2-phenoxyacetyl)-3-(4-(pyridin-4-ylmethyl)pheny...)
Show SMILES O=C(COc1ccccc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C21H19N3O2S/c25-20(15-26-19-4-2-1-3-5-19)24-21(27)23-18-8-6-16(7-9-18)14-17-10-12-22-13-11-17/h1-13H,14-15H2,(H2,23,24,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182502
PNG
(CHEMBL370234 | N-(5-butyramido-2-chlorophenyl)benz...)
Show SMILES CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C19H17ClN2O3/c1-2-5-18(23)21-13-8-9-14(20)15(11-13)22-19(24)17-10-12-6-3-4-7-16(12)25-17/h3-4,6-11H,2,5H2,1H3,(H,21,23)(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182503
PNG
(2-(3-Chloro-phenoxy)-N-(4-methyl-benzyl)-propionam...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C17H18ClNO2/c1-12-6-8-14(9-7-12)11-19-17(20)13(2)21-16-5-3-4-15(18)10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182507
PNG
(2-chloro-N-(2-methyl-4-(phenylthiomethyl)phenyl)be...)
Show SMILES Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClNOS/c1-15-13-16(14-25-17-7-3-2-4-8-17)11-12-20(15)23-21(24)18-9-5-6-10-19(18)22/h2-13H,14H2,1H3,(H,23,24)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182505
PNG
(2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-phen...)
Show SMILES O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1
Show InChI InChI=1S/C20H18N4OS/c25-19(21-13-12-15-6-2-1-3-7-15)14-26-20-23-22-18-11-10-16-8-4-5-9-17(16)24(18)20/h1-11H,12-14H2,(H,21,25)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182513
PNG
(CHEMBL204926 | ethyl 1-(3-(3,5-dimethylphenylamino...)
Show SMILES CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1
Show InChI InChI=1S/C19H28N2O3/c1-4-24-19(23)16-5-8-21(9-6-16)10-7-18(22)20-17-12-14(2)11-15(3)13-17/h11-13,16H,4-10H2,1-3H3,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182506
PNG
(CHEMBL383552 | N-(5-chloro-2-methoxyphenyl)-3-meth...)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1C
Show InChI InChI=1S/C17H14ClNO3/c1-10-12-5-3-4-6-14(12)22-16(10)17(20)19-13-9-11(18)7-8-15(13)21-2/h3-9H,1-2H3,(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182511
PNG
(1,6-bis(4-(2-methoxyphenyl)piperazin-1-yl)hexane-1...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCCC(=O)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C28H38N4O4/c1-35-25-11-5-3-9-23(25)29-15-19-31(20-16-29)27(33)13-7-8-14-28(34)32-21-17-30(18-22-32)24-10-4-6-12-26(24)36-2/h3-6,9-12H,7-8,13-22H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182509
PNG
(CHEMBL381113 | N-(3-(2-methoxybenzamido)phenyl)thi...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C19H16N2O3S/c1-24-16-9-3-2-8-15(16)18(22)20-13-6-4-7-14(12-13)21-19(23)17-10-5-11-25-17/h2-12H,1H3,(H,20,22)(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182508
PNG
(CHEMBL201191 | ethyl 2-(4-phenylbutanamido)benzoat...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-2-23-19(22)16-12-6-7-13-17(16)20-18(21)14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182510
PNG
(CHEMBL202582 | N-(3-(2-methylbenzamido)phenyl)thio...)
Show SMILES Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C19H16N2O2S/c1-13-6-2-3-9-16(13)18(22)20-14-7-4-8-15(12-14)21-19(23)17-10-5-11-24-17/h2-12H,1H3,(H,20,22)(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182497
PNG
(2-(benzylthio)-N-(3-chloro-2-methylphenyl)acetamid...)
Show SMILES Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1
Show InChI InChI=1S/C16H16ClNOS/c1-12-14(17)8-5-9-15(12)18-16(19)11-20-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182499
PNG
(CHEMBL202366 | N-benzyl-3-((2,3-dihydro-1H-inden-5...)
Show SMILES O=C(NCc1ccccc1)c1cccc(COc2ccc3CCCc3c2)c1
Show InChI InChI=1S/C24H23NO2/c26-24(25-16-18-6-2-1-3-7-18)22-11-4-8-19(14-22)17-27-23-13-12-20-9-5-10-21(20)15-23/h1-4,6-8,11-15H,5,9-10,16-17H2,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182506
PNG
(CHEMBL383552 | N-(5-chloro-2-methoxyphenyl)-3-meth...)
Show SMILES COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1C
Show InChI InChI=1S/C17H14ClNO3/c1-10-12-5-3-4-6-14(12)22-16(10)17(20)19-13-9-11(18)7-8-15(13)21-2/h3-9H,1-2H3,(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182505
PNG
(2-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)-N-phen...)
Show SMILES O=C(CSc1nnc2ccc3ccccc3n12)NCCc1ccccc1
Show InChI InChI=1S/C20H18N4OS/c25-19(21-13-12-15-6-2-1-3-7-15)14-26-20-23-22-18-11-10-16-8-4-5-9-17(16)24(18)20/h1-11H,12-14H2,(H,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182512
PNG
(CHEMBL383793 | N2,N6-diphenethylpyridine-2,6-dicar...)
Show SMILES O=C(NCCc1ccccc1)c1cccc(n1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H23N3O2/c27-22(24-16-14-18-8-3-1-4-9-18)20-12-7-13-21(26-20)23(28)25-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2,(H,24,27)(H,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182511
PNG
(1,6-bis(4-(2-methoxyphenyl)piperazin-1-yl)hexane-1...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCCCC(=O)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C28H38N4O4/c1-35-25-11-5-3-9-23(25)29-15-19-31(20-16-29)27(33)13-7-8-14-28(34)32-21-17-30(18-22-32)24-10-4-6-12-26(24)36-2/h3-6,9-12H,7-8,13-22H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182498
PNG
(1-(2-phenoxyacetyl)-3-(4-(pyridin-4-ylmethyl)pheny...)
Show SMILES O=C(COc1ccccc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C21H19N3O2S/c25-20(15-26-19-4-2-1-3-5-19)24-21(27)23-18-8-6-16(7-9-18)14-17-10-12-22-13-11-17/h1-13H,14-15H2,(H2,23,24,25,27)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182503
PNG
(2-(3-Chloro-phenoxy)-N-(4-methyl-benzyl)-propionam...)
Show SMILES CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C17H18ClNO2/c1-12-6-8-14(9-7-12)11-19-17(20)13(2)21-16-5-3-4-15(18)10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182500
PNG
(2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-isopro...)
Show SMILES CC(C)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2C)c1
Show InChI InChI=1S/C18H20ClNO3/c1-11(2)13-4-6-16(21)15(9-13)20-18(22)10-23-17-7-5-14(19)8-12(17)3/h4-9,11,21H,10H2,1-3H3,(H,20,22)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182512
PNG
(CHEMBL383793 | N2,N6-diphenethylpyridine-2,6-dicar...)
Show SMILES O=C(NCCc1ccccc1)c1cccc(n1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H23N3O2/c27-22(24-16-14-18-8-3-1-4-9-18)20-12-7-13-21(26-20)23(28)25-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2,(H,24,27)(H,25,28)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182502
PNG
(CHEMBL370234 | N-(5-butyramido-2-chlorophenyl)benz...)
Show SMILES CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C19H17ClN2O3/c1-2-5-18(23)21-13-8-9-14(20)15(11-13)22-19(24)17-10-12-6-3-4-7-16(12)25-17/h3-4,6-11H,2,5H2,1H3,(H,21,23)(H,22,24)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))		BDBM50182500
PNG
(2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-isopro...)
Show SMILES CC(C)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2C)c1
Show InChI InChI=1S/C18H20ClNO3/c1-11(2)13-4-6-16(21)15(9-13)20-18(22)10-23-17-7-5-14(19)8-12(17)3/h4-9,11,21H,10H2,1-3H3,(H,20,22)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182515
PNG
(5-(2-methoxybenzyloxy)-7-methyl-4-phenyl-2H-chrome...)
Show SMILES COc1ccccc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
Show InChI InChI=1S/C24H20O4/c1-16-12-21(27-15-18-10-6-7-11-20(18)26-2)24-19(17-8-4-3-5-9-17)14-23(25)28-22(24)13-16/h3-14H,15H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182514
PNG
(CHEMBL201969 | N'-[(2-chloro-4-methylbenzoyl)oxy]-...)
Show SMILES Cc1cccc(c1)C(N)=NOC(=O)c1ccc(C)cc1Cl |w:9.10|
Show InChI InChI=1S/C16H15ClN2O2/c1-10-4-3-5-12(8-10)15(18)19-21-16(20)13-7-6-11(2)9-14(13)17/h3-9H,1-2H3,(H2,18,19)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182507
PNG
(2-chloro-N-(2-methyl-4-(phenylthiomethyl)phenyl)be...)
Show SMILES Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClNOS/c1-15-13-16(14-25-17-7-3-2-4-8-17)11-12-20(15)23-21(24)18-9-5-6-10-19(18)22/h2-13H,14H2,1H3,(H,23,24)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))		BDBM50182499
PNG
(CHEMBL202366 | N-benzyl-3-((2,3-dihydro-1H-inden-5...)
Show SMILES O=C(NCc1ccccc1)c1cccc(COc2ccc3CCCc3c2)c1
Show InChI InChI=1S/C24H23NO2/c26-24(25-16-18-6-2-1-3-7-18)22-11-4-8-19(14-22)17-27-23-13-12-20-9-5-10-21(20)15-23/h1-4,6-8,11-15H,5,9-10,16-17H2,(H,25,26)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO

J Med Chem 49: 1356-63 (2006)


Article DOI: 10.1021/jm050639j
BindingDB Entry DOI: 10.7270/Q2057FH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%