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PubMed code 26753816

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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))		BDBM50135284
PNG
(CHEMBL3746105)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)OC(=O)c1cc(on1)N(O)C1CCCO1 |TLB:12:9:7.1.2:4,0:1:4:8.9.10,THB:11:1:4:8.9.10,11:9:7.1.2:4,2:1:8:3.4.10,2:3:8:7.1.11,0:1:8:3.4.10|
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.bmc.2015.12.040
BindingDB Entry DOI: 10.7270/Q28C9Z37
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50418083
PNG
(CHEMBL1743359 | ZILEUTON)
Show SMILES C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOX5 using arachidonic acid as substrate preincubated for 5 mins prior to substrate addition measured for 4 mins by s...

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))		BDBM50135281
PNG
(CHEMBL3747483)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.55,.61,;9.1,1.77,;10.08,2.98,;9.65,4.46,;10.95,5.31,;12.16,4.34,;11.61,2.88,;7.57,2.01,;6.47,.91,;5.11,1.62,;5.33,3.15,;6.86,3.39,;3.72,.92,;3.65,-.32,;2.42,1.77,;1.02,1.06,;-.29,1.71,;-1.05,.45,;-1.05,-1.34,;-2.27,-2.13,;-1.87,-.7,;-2.04,.73,;-.4,-.89,;1.12,-.36,;.37,-1.61,)|
Show InChI InChI=1S/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)


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))		BDBM50135285
PNG
(CHEMBL3746662)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19.18.23:21|
Show InChI InChI=1S/C19H26N2O5/c22-18(15-7-17(26-20-15)21(23)16-2-1-3-24-16)25-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-14,16,23H,1-6,8-11H2
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n/an/a 1.60E+4n/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))		BDBM50135280
PNG
(CHEMBL3745877)
Show SMILES ON(C1CCCO1)c1cc(no1)C(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:16:17:20:24.15.23,16:15:18.17.22:20,14:15:18.17.22:20|
Show InChI InChI=1S/C18H24N2O5/c21-17(14-7-16(25-19-14)20(22)15-2-1-3-23-15)24-18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-13,15,22H,1-6,8-10H2
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n/an/a 2.50E+4n/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))		BDBM50418083
PNG
(CHEMBL1743359 | ZILEUTON)
Show SMILES C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m1/s1
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n/an/a>1.00E+5n/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))		BDBM50135283
PNG
(CHEMBL3747650)
Show SMILES CC(C)OC(=O)C12CC3CC(CC(C3)(C1)OC(=O)c1cc(on1)N(O)C1CCCO1)C2 |TLB:7:6:13.8.9:11,9:10:14:13.8.7,THB:7:8:11:14.6.30|
Show InChI InChI=1S/C22H30N2O7/c1-13(2)29-20(26)21-8-14-6-15(9-21)11-22(10-14,12-21)30-19(25)16-7-18(31-23-16)24(27)17-4-3-5-28-17/h7,13-15,17,27H,3-6,8-12H2,1-2H3
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n/an/a 2.77E+5n/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
* indicates data uncertainty>20%