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Compile Data Set for Download or QSAR

Found 34 hits of ki data for polymerid = 2258,2260,2264,50002936,50003210   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linol...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50282770
PNG
(CHEMBL2296824)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(C)CC1
Show InChI InChI=1S/C18H23N5S/c1-3-6-14-16-17(24-15-8-5-4-7-13(15)19-16)21-18(20-14)23-11-9-22(2)10-12-23/h4-5,7-8,19H,3,6,9-12H2,1-2H3
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192n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM192766
PNG
(4-MMPB)
Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1
Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3
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198n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM192766
PNG
(4-MMPB)
Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1
Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3
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204n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584663
PNG
(CHEMBL5090671)
Show SMILES COc1ccc(cc1NS(=O)(=O)NC(=O)OCC(C)C)-c1cc2cc(F)ccc2[nH]1
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290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linol...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489108
PNG
(CHEMBL2296821)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCC(C)CC1
Show InChI InChI=1S/C19H24N4S/c1-3-6-15-17-18(24-16-8-5-4-7-14(16)20-17)22-19(21-15)23-11-9-13(2)10-12-23/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3
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486n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489109
PNG
(CHEMBL2296820)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCCC1
Show InChI InChI=1S/C18H22N4S/c1-2-8-14-16-17(23-15-10-5-4-9-13(15)19-16)21-18(20-14)22-11-6-3-7-12-22/h4-5,9-10,19H,2-3,6-8,11-12H2,1H3
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662n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50304296
PNG
(CHEMBL594396 | Oleyl sulfate)
Show SMILES CCCCCCCC\C=C/CCCCCCCCOS(O)(=O)=O
Show InChI InChI=1S/C18H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H,19,20,21)/b10-9-
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700n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to soybean LO1


Bioorg Med Chem 17: 6534-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.005
BindingDB Entry DOI: 10.7270/Q2SQ90GP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584667
PNG
(CHEMBL5080282)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
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790n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed mode inhibition of wild type Rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linoleic a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584667
PNG
(CHEMBL5080282)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
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790n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linol...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489110
PNG
(CHEMBL2296823)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H25N5S/c1-2-8-19-21-22(29-20-12-7-6-11-18(20)24-21)26-23(25-19)28-15-13-27(14-16-28)17-9-4-3-5-10-17/h3-7,9-12,24H,2,8,13-16H2,1H3
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1.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489112
PNG
(CHEMBL2296819)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCC1
Show InChI InChI=1S/C17H20N4S/c1-2-7-13-15-16(20-17(19-13)21-10-5-6-11-21)22-14-9-4-3-8-12(14)18-15/h3-4,8-9,18H,2,5-7,10-11H2,1H3
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1.85E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280213
PNG
((E)-11-(3-Pentyl-thiiranyl)-undec-9-enoic acid | C...)
Show SMILES CCCCCC1SC1C\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2S/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489111
PNG
(CHEMBL2296822)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCOCC1
Show InChI InChI=1S/C17H20N4OS/c1-2-5-13-15-16(23-14-7-4-3-6-12(14)18-15)20-17(19-13)21-8-10-22-11-9-21/h3-4,6-7,18H,2,5,8-11H2,1H3
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2.01E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584667
PNG
(CHEMBL5080282)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cccc(c1)-c1cc2ccccc2[nH]1
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3.13E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed mode inhibition of wild type Rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using arachidoni...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280211
PNG
(11-(3-Pentyl-thiiranyl)-undecanoic acid | CHEMBL28...)
Show SMILES CCCCCC1SC1CCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2S/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50401193
PNG
(CHEMBL1934604)
Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)
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9.80E+3n/an/an/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of soyabean lipoxygenase-1 assessed as inhibition constant for enzyme-inhibitor complex by Lineweaver-Burk plot


Bioorg Med Chem 20: 5027-32 (2012)


Article DOI: 10.1016/j.bmc.2012.06.019
BindingDB Entry DOI: 10.7270/Q20R9QJG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50401193
PNG
(CHEMBL1934604)
Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)
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1.57E+4n/an/an/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of soyabean lipoxygenase-1 assessed as inhibition constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot


Bioorg Med Chem 20: 5027-32 (2012)


Article DOI: 10.1016/j.bmc.2012.06.019
BindingDB Entry DOI: 10.7270/Q20R9QJG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50445691
PNG
(CHEMBL243677)
Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16,18-19H
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1.80E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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1.94E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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2.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to soybean LO1


Bioorg Med Chem 17: 6534-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.005
BindingDB Entry DOI: 10.7270/Q2SQ90GP
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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8.45E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50445690
PNG
(CHEMBL457821)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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9.54E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280214
PNG
(8-(3-Octyl-oxiranyl)-octanoic acid | CHEMBL27918)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280212
PNG
(8-[((E)-3-Oct-2-enyl)-thiiranyl]-octanoic acid | C...)
Show SMILES CCCCC\C=C\CC1SC1CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2S/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280210
PNG
(8-[((E)-3-Oct-2-enyl)-oxiranyl]-octanoic acid | CH...)
Show SMILES CCCCC\C=C\CC1OC1CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280209
PNG
(8-(3-Octyl-thiiranyl)-octanoic acid | CHEMBL28539)
Show SMILES CCCCCCCCC1SC1CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2S/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280207
PNG
(11-(3-Pentyl-oxiranyl)-undecanoic acid | CHEMBL281...)
Show SMILES CCCCCC1OC1CCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50280208
PNG
((E)-11-(3-Pentyl-oxiranyl)-undec-9-enoic acid | CH...)
Show SMILES CCCCCC1OC1C\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
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>1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Soyabean type 1 Lipoxygenase (SBLO) was determined


Bioorg Med Chem Lett 2: 1385-1390 (1992)


Article DOI: 10.1016/S0960-894X(00)80518-1
BindingDB Entry DOI: 10.7270/Q27M07V3
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50312650
PNG
(5,4'-dihydroxyflavone | 5-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16,18H
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1.03E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
1.07E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-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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PubMed
1.22E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50304295
PNG
(CHEMBL611951 | Palmitoleyl sulfate)
Show SMILES CCCCCCCC\C=C/CCCCCCOS(O)(=O)=O
Show InChI InChI=1S/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h9-10H,2-8,11-16H2,1H3,(H,17,18,19)/b10-9-
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1.40E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to allosteric site of soybean LO1


Bioorg Med Chem 17: 6534-9 (2009)


Article DOI: 10.1016/j.bmc.2009.08.005
BindingDB Entry DOI: 10.7270/Q2SQ90GP
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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1.78E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair