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Compile Data Set for Download or QSAR

Found 72 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


(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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
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 9.23E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86085
PNG
(Tetraketone, 22)
Show SMILES Cc1ccc(o1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C22H28O5/c1-12-6-7-17(27-12)20(18-13(23)8-21(2,3)9-14(18)24)19-15(25)10-22(4,5)11-16(19)26/h6-7,18-20H,8-11H2,1-5H3
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n/an/a 1.25E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86070
PNG
(Tetraketone, 3)
Show SMILES Cc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C24H30O4/c1-14-6-8-15(9-7-14)20(21-16(25)10-23(2,3)11-17(21)26)22-18(27)12-24(4,5)13-19(22)28/h6-9,20-22H,10-13H2,1-5H3
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n/an/a 1.63E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86077
PNG
(Tetraketone, 11)
Show SMILES CN(C)c1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C25H33NO4/c1-24(2)11-17(27)22(18(28)12-24)21(15-7-9-16(10-8-15)26(5)6)23-19(29)13-25(3,4)14-20(23)30/h7-10,21-23H,11-14H2,1-6H3
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n/an/a 1.75E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86074
PNG
(Tetraketone, 8)
Show SMILES COc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-22H,10-13H2,1-5H3
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n/an/a 2.13E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 2.20E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86072
PNG
(Tetraketone, 6)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(O)cc2)C(=O)C1
Show InChI InChI=1S/C23H28O5/c1-22(2)9-15(25)20(16(26)10-22)19(13-5-7-14(24)8-6-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21,24H,9-12H2,1-4H3
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n/an/a 2.64E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86080
PNG
(Tetraketone, 15)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(O)c(Br)c2)C(=O)C1
Show InChI InChI=1S/C23H27BrO5/c1-22(2)8-15(26)20(16(27)9-22)19(12-5-6-14(25)13(24)7-12)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-21,25H,8-11H2,1-4H3
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n/an/a 2.71E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
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 2.80E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86078
PNG
(Tetraketone, 12)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2Cl)C(=O)C1
Show InChI InChI=1S/C23H27ClO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
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n/an/a 2.84E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50021468
PNG
(CHEMBL3289934)
Show SMILES CN(C)c1ccc(\C=C2\CCC\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H26N4O5/c1-25(2)20-10-8-16(22(14-20)27(30)31)12-18-6-5-7-19(24(18)29)13-17-9-11-21(26(3)4)15-23(17)28(32)33/h8-15H,5-7H2,1-4H3/b18-12-,19-13+
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n/an/a 2.93E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86103
PNG
(3'-Hydroxyepiglucoisatisin, 3)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2(O)C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)
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n/an/a 3.06E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86076
PNG
(Tetraketone, 10)
Show SMILES CCOc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C25H32O5/c1-6-30-16-9-7-15(8-10-16)21(22-17(26)11-24(2,3)12-18(22)27)23-19(28)13-25(4,5)14-20(23)29/h7-10,21-23H,6,11-14H2,1-5H3
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n/an/a 3.08E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86069
PNG
(Tetraketone, 2)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H28O4/c1-22(2)10-15(24)20(16(25)11-22)19(14-8-6-5-7-9-14)21-17(26)12-23(3,4)13-18(21)27/h5-9,19-21H,10-13H2,1-4H3
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n/an/a 3.30E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86075
PNG
(Tetraketone, 9)
Show SMILES COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1
Show InChI InChI=1S/C25H32O6/c1-24(2)10-16(26)22(17(27)11-24)21(15-8-7-14(30-5)9-20(15)31-6)23-18(28)12-25(3,4)13-19(23)29/h7-9,21-23H,10-13H2,1-6H3
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n/an/a 3.31E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86102
PNG
(Epiglucoisatisin, 2)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O12S2/c1-2-10(33-16(25)8-12-11-5-3-4-6-13(11)22-20(12)29)7-15(23-35-37(30,31)32)36-21-19(28)18(27)17(26)14(9-24)34-21/h2-6,10,12,14,17-19,21,24,26-28H,1,7-9H2,(H,22,29)(H,30,31,32)
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n/an/a 3.37E+4n/an/an/an/a8.025



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Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86083
PNG
(Tetraketone, 20)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(cc2)C(\Br)=C\c2ccccc2)C(=O)C1
Show InChI InChI=1S/C31H33BrO4/c1-30(2)15-23(33)28(24(34)16-30)27(29-25(35)17-31(3,4)18-26(29)36)21-12-10-20(11-13-21)22(32)14-19-8-6-5-7-9-19/h5-14,27-29H,15-18H2,1-4H3/b22-14-
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n/an/a 3.54E+4n/an/an/an/a8.025



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


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037298
PNG
(CHEMBL3356691)
Show SMILES CC(C)=CCOc1ccc(cc1OCC=C(C)C)-c1c(C)c2cc(Br)cc(Br)c2oc1=O
Show InChI InChI=1S/C26H26Br2O4/c1-15(2)8-10-30-22-7-6-18(12-23(22)31-11-9-16(3)4)24-17(5)20-13-19(27)14-21(28)25(20)32-26(24)29/h6-9,12-14H,10-11H2,1-5H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50045849
PNG
(CHEMBL3309949)
Show SMILES CN(C)c1ccc(\C=C2/CN(C)C\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H27N5O5/c1-25(2)20-8-6-16(22(12-20)28(31)32)10-18-14-27(5)15-19(24(18)30)11-17-7-9-21(26(3)4)13-23(17)29(33)34/h6-13H,14-15H2,1-5H3/b18-10+,19-11+
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n/an/a 3.83E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86101
PNG
(2-[Cyano(3-indolyl) methylene]-3-indolone, 1)
Show SMILES O=C1C(Nc2ccccc12)=C(C#N)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H11N3O/c19-9-13(14-10-20-15-7-3-1-5-11(14)15)17-18(22)12-6-2-4-8-16(12)21-17/h1-8,10,20-21H/b17-13-
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n/an/a 3.91E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50045848
PNG
(CHEMBL3309948)
Show SMILES CN(C)c1ccc(\C=C2/CNC\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H25N5O5/c1-25(2)19-7-5-15(21(11-19)27(30)31)9-17-13-24-14-18(23(17)29)10-16-6-8-20(26(3)4)12-22(16)28(32)33/h5-12,24H,13-14H2,1-4H3/b17-9+,18-10+
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n/an/a 3.95E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86087
PNG
(Buddlejoside B, 2)
Show SMILES OCC1OC(O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)c(O)c4)[C@@H]23)C(O)C(O)C1O
Show InChI InChI=1S/C22H26O12/c23-7-15-17(27)18(28)19(29)22(33-15)34-21-16-10(6-13(25)11(16)3-4-31-21)8-32-20(30)9-1-2-12(24)14(26)5-9/h1-6,11,13,15-19,21-29H,7-8H2/t11-,13+,15?,16+,17?,18?,19?,21-,22?/m0/s1
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n/an/a 3.97E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037297
PNG
(CHEMBL3356692)
Show SMILES CC(C)=CCOc1ccc(cc1OCC=C(C)C)-c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C25H25BrO4/c1-16(2)9-11-28-23-7-5-18(15-24(23)29-12-10-17(3)4)21-14-19-13-20(26)6-8-22(19)30-25(21)27/h5-10,13-15H,11-12H2,1-4H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86092
PNG
(Buddlejoside A5, 7)
Show SMILES COc1ccc(\C=C\C(=O)OC2C(O)C(C)OC(O[C@@H]3[C@@H]4O[C@]4(CO)C4C3C=CO[C@H]4OC3OC(CO)C(O)C(O)C3O)C2OC(C)=O)cc1
Show InChI InChI=1S/C33H42O17/c1-14-22(38)27(47-20(37)9-6-16-4-7-17(42-3)8-5-16)28(45-15(2)36)32(44-14)48-26-18-10-11-43-30(21(18)33(13-35)29(26)50-33)49-31-25(41)24(40)23(39)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14?,18?,19?,21?,22?,23?,24?,25?,26-,27?,28?,29-,30-,31?,32?,33+/m0/s1
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n/an/a 4.04E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86091
PNG
(Buddlejoside A2, 6)
Show SMILES COc1ccc(\C=C\C(=O)OC2C(C)OC(O[C@@H]3C=C(CO)C4C3C=CO[C@H]4OC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C2O)cc1
Show InChI InChI=1S/C33H42O16/c1-15-29(48-23(37)9-6-17-4-7-19(42-3)8-5-17)28(41)30(45-16(2)36)33(44-15)46-21-12-18(13-34)24-20(21)10-11-43-31(24)49-32-27(40)26(39)25(38)22(14-35)47-32/h4-12,15,20-22,24-35,38-41H,13-14H2,1-3H3/b9-6+/t15?,20?,21-,22?,24?,25?,26?,27?,28?,29?,30?,31+,32?,33?/m1/s1
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n/an/a 4.19E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86104
PNG
(Sulfoglucobrassicin, 4)
Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)
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n/an/a 4.19E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86086
PNG
(Buddlejoside A, 1)
Show SMILES OCC1OC(O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@@H]23)C(O)C(O)C1O
Show InChI InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15?,16+,17?,18?,19?,21-,22?/m0/s1
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n/an/a 4.43E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50045847
PNG
(CHEMBL3309947)
Show SMILES CN(C)c1ccc(\C=C2/COC\C(=C/c3ccc(cc3[N+]([O-])=O)N(C)C)C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O6/c1-24(2)19-7-5-15(21(11-19)26(29)30)9-17-13-33-14-18(23(17)28)10-16-6-8-20(25(3)4)12-22(16)27(31)32/h5-12H,13-14H2,1-4H3/b17-9+,18-10+
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n/an/a 4.47E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86090
PNG
(Beta-gardiol, 5)
Show SMILES COC(=O)[C@@H]1C2C=C[C@@]3(O)CO[C@@H](O[C@@H]1O)C23
Show InChI InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5?,6-,7?,9-,10-,11+/m0/s1
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n/an/a 4.73E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86105
PNG
(Isatan A, 5)
Show SMILES OC1C(COC(=O)CC(O)=O)OC(Oc2c[nH]c3ccccc23)C(O)C1=O
Show InChI InChI=1S/C17H17NO9/c19-12(20)5-13(21)25-7-11-14(22)15(23)16(24)17(27-11)26-10-6-18-9-4-2-1-3-8(9)10/h1-4,6,11,14,16-18,22,24H,5,7H2,(H,19,20)
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n/an/a 4.93E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86089
PNG
(Genipin, 4)
Show SMILES COC(=O)C1=CO[C@@H](O)C2C(CO)C=CC12
Show InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2-3,5-7,9,11-12,14H,4H2,1H3/t6?,7?,9?,11-/m1/s1
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n/an/a 4.96E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
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 5.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86084
PNG
(Tetraketone, 21)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccco2)C(=O)C1
Show InChI InChI=1S/C21H26O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17-19H,8-11H2,1-4H3
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n/an/a 5.15E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50021467
PNG
(CHEMBL3289933)
Show SMILES CCOC(OCC)c1ccc(\C=C\C(=O)C2CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H26O4/c1-3-27-24(28-4-2)19-12-9-17(10-13-19)11-16-22(25)21-15-14-18-7-5-6-8-20(18)23(21)26/h5-13,16,21,24H,3-4,14-15H2,1-2H3/b16-11+
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n/an/a 5.22E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86088
PNG
(Buddlejoside C, 3)
Show SMILES CC(C)CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CC[C@H](OC3OC(CO)C(O)C(O)C3O)[C@H]12
Show InChI InChI=1S/C21H32O9/c1-10(2)6-16(24)28-9-11-7-13(23)12-4-3-5-14(17(11)12)29-21-20(27)19(26)18(25)15(8-22)30-21/h3-4,7,10,12-15,17-23,25-27H,5-6,8-9H2,1-2H3/t12-,13+,14-,15?,17+,18?,19?,20?,21?/m0/s1
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n/an/a 5.25E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...


J Enzyme Inhib Med Chem 23: 140-3 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86079
PNG
(Tetraketone, 14)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2cccc(Br)c2)C(=O)C1
Show InChI InChI=1S/C23H27BrO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-6-5-7-14(24)8-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
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n/an/a 5.29E+4n/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...


J Enzyme Inhib Med Chem 23: 62-9 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max (Soybean) (Glycine hispida))
BDBM86106
PNG
(Isatan B, 6)
Show SMILES OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(=O)C1O
Show InChI InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2
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n/an/a 5.38E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.


J Enzyme Inhib Med Chem 23: 313-6 (2008)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025855
PNG
(CHEMBL3330910)
Show SMILES COc1cc(NC(C)CCCNC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1
Show InChI InChI=1/C29H31ClN4O2/c1-20(33-26-19-25(36-2)18-23-11-7-16-31-28(23)26)8-6-17-32-29(35)34-27(21-9-4-3-5-10-21)22-12-14-24(30)15-13-22/h3-5,7,9-16,18-20,27,33H,6,8,17H2,1-2H3,(H2,32,34,35)
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n/an/a 5.79E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 5.95E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025867
PNG
(CHEMBL3330912)
Show SMILES COc1ccc(cc1)C(=NNC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)c1ccc(OC)cc1
Show InChI InChI=1/C31H35N5O4/c1-21(34-28-20-27(40-4)19-24-8-6-17-32-30(24)28)7-5-18-33-31(37)36-35-29(22-9-13-25(38-2)14-10-22)23-11-15-26(39-3)16-12-23/h6,8-17,19-21,34H,5,7,18H2,1-4H3,(H2,33,36,37)
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025851
PNG
(CHEMBL3329237)
Show SMILES COc1ccc(cc1)C(=N\NC(=O)NNC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)\c1ccccc1
Show InChI InChI=1/C31H35N7O4/c1-21(34-27-20-26(42-3)19-24-12-8-17-32-29(24)27)9-7-18-33-30(39)36-38-31(40)37-35-28(22-10-5-4-6-11-22)23-13-15-25(41-2)16-14-23/h4-6,8,10-17,19-21,34H,7,9,18H2,1-3H3,(H2,33,36,39)(H2,37,38,40)/b35-28+
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n/an/a 6.05E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025864
PNG
(CHEMBL3330911)
Show SMILES COc1ccc(cc1)C(=N\NC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)\c1ccccc1
Show InChI InChI=1/C30H33N5O3/c1-21(33-27-20-26(38-3)19-24-12-8-17-31-29(24)27)9-7-18-32-30(36)35-34-28(22-10-5-4-6-11-22)23-13-15-25(37-2)16-14-23/h4-6,8,10-17,19-21,33H,7,9,18H2,1-3H3,(H2,32,35,36)/b34-28+
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n/an/a 6.05E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037296
PNG
(CHEMBL3356693)
Show SMILES COc1ccc(cc1OC)-c1c(C)c2cc(Br)ccc2oc1=S
Show InChI InChI=1S/C18H15BrO3S/c1-10-13-9-12(19)5-7-14(13)22-18(23)17(10)11-4-6-15(20-2)16(8-11)21-3/h4-9H,1-3H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50021461
PNG
(CHEMBL3289927)
Show SMILES CCOC(OCC)c1ccc(\C=C2/CN(C)C\C(=C/c3ccc(cc3)C(OCC)OCC)C2=O)cc1
Show InChI InChI=1S/C30H39NO5/c1-6-33-29(34-7-2)24-14-10-22(11-15-24)18-26-20-31(5)21-27(28(26)32)19-23-12-16-25(17-13-23)30(35-8-3)36-9-4/h10-19,29-30H,6-9,20-21H2,1-5H3/b26-18+,27-19+
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n/an/a 6.56E+4n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay


Bioorg Med Chem 22: 4151-61 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025850
PNG
(CHEMBL3330899)
Show SMILES COc1cc(NC(C)CCCNC(=O)NNC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1
Show InChI InChI=1/C30H33ClN6O3/c1-20(34-26-19-25(40-2)18-23-11-7-16-32-28(23)26)8-6-17-33-29(38)36-37-30(39)35-27(21-9-4-3-5-10-21)22-12-14-24(31)15-13-22/h3-5,7,9-16,18-20,27,34H,6,8,17H2,1-2H3,(H2,33,36,38)(H2,35,37,39)
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n/an/a 7.05E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037299
PNG
(CHEMBL3356690)
Show SMILES CC(C)=CCOc1ccc(cc1OCC=C(C)C)-c1c(C)c2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C26H27BrO4/c1-16(2)10-12-29-23-8-6-19(14-24(23)30-13-11-17(3)4)25-18(5)21-15-20(27)7-9-22(21)31-26(25)28/h6-11,14-15H,12-13H2,1-5H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037300
PNG
(CHEMBL3356687)
Show SMILES Cc1c(-c2ccc(O)c(O)c2)c(=O)oc2ccc(Br)cc12
Show InChI InChI=1S/C16H11BrO4/c1-8-11-7-10(17)3-5-14(11)21-16(20)15(8)9-2-4-12(18)13(19)6-9/h2-7,18-19H,1H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50025853
PNG
(CHEMBL3330900)
Show SMILES COc1ccc(cc1)C(=NNC(=O)NNC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)c1ccc(OC)cc1
Show InChI InChI=1/C32H37N7O5/c1-21(35-28-20-27(44-4)19-24-8-6-17-33-30(24)28)7-5-18-34-31(40)37-39-32(41)38-36-29(22-9-13-25(42-2)14-10-22)23-11-15-26(43-3)16-12-23/h6,8-17,19-21,35H,5,7,18H2,1-4H3,(H2,34,37,40)(H2,38,39,41)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Zagreb

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry


Eur J Med Chem 86: 502-14 (2014)

More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037323
PNG
(CHEMBL3356686)
Show SMILES COc1ccc(cc1OC)-c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C17H13BrO4/c1-20-15-5-3-10(9-16(15)21-2)13-8-11-7-12(18)4-6-14(11)22-17(13)19/h3-9H,1-2H3
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n/an/a 8.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy


Bioorg Med Chem 22: 6586-94 (2015)

More data for this
Ligand-Target Pair
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