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Compile Data Set for Download or QSAR

Found 317 hits Enz. Inhib. hit(s) with Target = 'Lipoxygenase'   
Target
(Institution)
LigandTarget
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
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 57n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114093
PNG
(4-chloro-5-[(2R,3S)-4-(2-chloro-4,5-dihydroxypheny...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
Show InChI InChI=1S/C18H20Cl2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 65n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 100n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 100n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114096
PNG
(4-ethyl-5-[4-(2-ethyl-4,5-dihydroxyphenyl)-2,3-dim...)
Show SMILES CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC
Show InChI InChI=1S/C22H30O4/c1-5-15-9-19(23)21(25)11-17(15)7-13(3)14(4)8-18-12-22(26)20(24)10-16(18)6-2/h9-14,23-26H,5-8H2,1-4H3/t13-,14+
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n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50065996
PNG
(4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...)
Show SMILES COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 180n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 300n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3
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n/an/a 300n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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n/an/a 320n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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n/an/a 320n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 360n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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n/an/a 360n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50135282
PNG
(CHEMBL3746867)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C20H28N2O5/c23-19(16-9-18(27-21-16)22(24)17-2-1-4-25-17)26-5-3-20-10-13-6-14(11-20)8-15(7-13)12-20/h9,13-15,17,24H,1-8,10-12H2
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n/an/a 400n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis


Bioorg Med Chem 24: 712-20 (2016)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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n/an/a 400n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 500n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM192765
PNG
(1,3-Dimethoxy-5-methyl-2-((2E,6E)-3,7,11-trimethyl...)
Show SMILES COc1cc(C)cc(OC)c1C\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-22-23(25-6)16-21(5)17-24(22)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
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n/an/a 520n/an/an/an/an/an/a



Ferdowsi University of Mashhad



Assay Description
Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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n/an/a 1.00E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50135284
PNG
(CHEMBL3746105)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)OC(=O)c1cc(on1)N(O)C1CCCO1
Show InChI InChI=1/C20H28N2O5/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)26-17(23)14-6-16(27-21-14)22(24)15-4-3-5-25-15/h6,13,15,24H,3-5,7-12H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis


Bioorg Med Chem 24: 712-20 (2016)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Allosteric inhibition of soybean LO1


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM234409
PNG
([Au(tpp)Cl] (1))
Show SMILES Cl[Au]P(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Ioannina



Assay Description
Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the ap...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50065995
PNG
(4-[(2S,3R)-4-(3,4-Dimethoxy-phenyl)-2,3-dimethyl-b...)
Show SMILES COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)18(22)11-15)14(2)10-16-6-8-19(23-3)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 3.20E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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n/an/a 3.20E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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n/an/a 3.20E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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n/an/a 3.50E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 3.50E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50135281
PNG
(CHEMBL3747483)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C18H24N2O5/c21-18(14-9-16(25-19-14)20(22)15-2-1-3-23-15)24-17-12-5-10-4-11(7-12)8-13(17)6-10/h9-13,15,17,22H,1-8H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis


Bioorg Med Chem 24: 712-20 (2016)

More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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n/an/a 5.00E+3n/an/an/an/a7.422



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM192764
PNG
((E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)-1,3-dimetho...)
Show SMILES COc1cc(C)cc(OC)c1C\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C19H28O2/c1-14(2)8-7-9-15(3)10-11-17-18(20-5)12-16(4)13-19(17)21-6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Ferdowsi University of Mashhad



Assay Description
Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50292424
PNG
(Anacardic acid 10'Z-monoene | CHEMBL470264)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h5-6,15,17-18,23H,2-4,7-14,16H2,1H3,(H,24,25)/b6-5-
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase-1


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Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


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Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM192763
PNG
(1,3-Dimethoxy-5-methyl-2-(3-methylbut-2-en-1-yl)be...)
Show SMILES COc1cc(C)cc(OC)c1CC=C(C)C
Show InChI InChI=1S/C14H20O2/c1-10(2)6-7-12-13(15-4)8-11(3)9-14(12)16-5/h6,8-9H,7H2,1-5H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Ferdowsi University of Mashhad



Assay Description
Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...


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Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86082
PNG
(Tetraketone, 19)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(\C=C\c3ccccc3)cc2)C(=O)C1
Show InChI InChI=1S/C31H34O4/c1-30(2)16-23(32)28(24(33)17-30)27(29-25(34)18-31(3,4)19-26(29)35)22-14-12-21(13-15-22)11-10-20-8-6-5-7-9-20/h5-15,27-29H,16-19H2,1-4H3/b11-10+
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n/an/a 7.80E+3n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


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