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PubMed code 25456384

Compile data set for download or QSAR
Found 9 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
Lipoxygenase


(Glycine max)
BDBM50037298
PNG
(CHEMBL3356691)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(cc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c1c(-[#6])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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PubMed
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037297
PNG
(CHEMBL3356692)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(cc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
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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PubMed
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037299
PNG
(CHEMBL3356690)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(cc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c1c(-[#6])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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
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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PubMed
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
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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Article
PubMed
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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037295
PNG
(CHEMBL3356696)
Show SMILES Cc1c(-c2ccc(O)c(O)c2)c(=S)oc2ccc(Br)cc12
Show InChI InChI=1S/C16H11BrO3S/c1-8-11-7-10(17)3-5-14(11)20-16(21)15(8)9-2-4-12(18)13(19)6-9/h2-7,18-19H,1H3
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 9.00E+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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
More data for this
Ligand-Target Pair
Lipoxygenase


(Glycine max)
BDBM50037345
PNG
(CHEMBL3356685)
Show SMILES COc1ccc(cc1OC)-c1c(C)c2cc(Br)cc(Br)c2oc1=O
Show InChI InChI=1S/C18H14Br2O4/c1-9-12-7-11(19)8-13(20)17(12)24-18(21)16(9)10-4-5-14(22-2)15(6-10)23-3/h4-8H,1-3H3
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/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)


Article DOI: 10.1016/j.bmc.2014.10.008
BindingDB Entry DOI: 10.7270/Q2MK6FHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%