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Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P09186   
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
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234360
PNG
(2-Allyl-1-isopropoxy-4-methoxybenzene (4d))
Show SMILES COc1ccc(OC(C)C)c(CC=C)c1
Show InChI InChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3
PDB

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UniChem
Article
PubMed
1.14E+3 -7.45 5.90E+3n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234363
PNG
(2-Allyl-1-isobutoxy-4-methoxybenzene (4g))
Show SMILES COc1ccc(OCC(C)C)c(CC=C)c1
Show InChI InChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3
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UniChem
Article
PubMed
3.43E+3 -6.85 3.58E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234359
PNG
(2-Allyl-4-methoxy-1-propoxybenzene (4c))
Show SMILES CCCOc1ccc(OC)cc1CC=C
Show InChI InChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3
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UniChem
Article
PubMed
3.88E+3 -6.78 3.43E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234362
PNG
(2-Allyl-1-sec-butoxy-4-methoxybenzene (4f))
Show SMILES CCC(C)Oc1ccc(OC)cc1CC=C
Show InChI InChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
7.91E+3 -6.40 2.08E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234366
PNG
(2-Allyl-1-cyclohexyloxy-4-methoxybenzene (4j))
Show SMILES COc1ccc(OC2CCCCC2)c(CC=C)c1
Show InChI InChI=1S/C16H22O2/c1-3-7-13-12-15(17-2)10-11-16(13)18-14-8-5-4-6-9-14/h3,10-12,14H,1,4-9H2,2H3
PDB

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UniChem
Article
PubMed
1.38E+4 -6.09 4.41E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234365
PNG
(2-Allyl-1-cyclopentyloxy-4-methoxybenzene (4i))
Show SMILES COc1ccc(OC2CCCC2)c(CC=C)c1
Show InChI InChI=1S/C15H20O2/c1-3-6-12-11-14(16-2)9-10-15(12)17-13-7-4-5-8-13/h3,9-11,13H,1,4-8H2,2H3
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UniChem
Article
PubMed
1.41E+4 -6.08 4.02E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234361
PNG
(2-Allyl-1-butoxy-4-methoxybenzene (4e))
Show SMILES CCCCOc1ccc(OC)cc1CC=C
Show InChI InChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3
PDB

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UniChem
Article
PubMed
1.72E+4 -5.97 5.86E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234358
PNG
(2-Allyl-1-ethoxy-4-methoxybenzene (4b))
Show SMILES CCOc1ccc(OC)cc1CC=C
Show InChI InChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3
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UniChem
Article
PubMed
2.72E+4 -5.72 9.11E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234357
PNG
(2-Allyl-1,4-dimethoxybenzene (4a))
Show SMILES COc1ccc(OC)c(CC=C)c1
Show InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3
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UniChem
Article
PubMed
3.19E+4 -5.64 9.31E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3


(Glycine max (Soybean))
BDBM234364
PNG
(2-Allyl-1- tert-butoxy-4-methoxybenzene (4h))
Show SMILES COc1ccc(OC(C)(C)C)c(CC=C)c1
Show InChI InChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
3.32E+4 -5.62 1.14E+4n/an/an/an/a9.01



Mashhad University of Medical Sciences



Assay Description
Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...


J Enzyme Inhib Med Chem 26: 238-44 (2011)


Article DOI: 10.3109/14756366.2010.495717
BindingDB Entry DOI: 10.7270/Q25D8QQF
More data for this
Ligand-Target Pair