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Compile Data Set for Download or QSAR

Found 258 hits of affinity data for UniProtKB/TrEMBL: P08170   
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
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
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
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
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))
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))
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))
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))
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))
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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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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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
Seed linoleate 13S-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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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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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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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/an/an/a



University of Alberta



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-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



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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/an/an/a



University of Alberta



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-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/an/an/a



University of Alberta



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50135282
PNG
(CHEMBL3746867)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:18:19:22:26.17.25,18:17:20.19.24:22,16:17:20.19.24:22|
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.bmc.2015.12.040
BindingDB Entry DOI: 10.7270/Q28C9Z37
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Seed linoleate 13S-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



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


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
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