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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'skaltsa' and Initial = 'h'   
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
Linoleate 9S-lipoxygenase-4


(Glycine max (Soybean) (Glycine hispida))
BDBM86026
PNG
(p-menth-3-ene-1,2-diol 1-O-B-glucopyranoside, 5)
Show SMILES CC(C)C1=C[C@H](O)[C@](C)(CC1)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O |r,t:3|
Show InChI InChI=1S/C16H28O7/c1-8(2)9-4-5-16(3,11(18)6-9)23-15-14(21)13(20)12(19)10(7-17)22-15/h6,8,10-15,17-21H,4-5,7H2,1-3H3/t10?,11-,12+,13-,14?,15-,16-/m0/s1
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 3.60E+5n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
Linoleate 9S-lipoxygenase-4


(Glycine max (Soybean) (Glycine hispida))
BDBM86025
PNG
(12-hydroxy-jasmonic acid 12-O-B-glucoside, 4)
Show SMILES OCC1O[C@H](OCC\C=C\C[C@@H]2[C@@H](CC(O)=O)CCC2=O)[C@H](O)C(O)[C@H]1O |r|
Show InChI InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+/t10-,11-,13?,15+,16?,17-,18+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+5n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
Linoleate 9S-lipoxygenase-4


(Glycine max (Soybean) (Glycine hispida))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 6.00E+5n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
Linoleate 9S-lipoxygenase-4


(Glycine max (Soybean) (Glycine hispida))
BDBM86024
PNG
(Lithospermic acid, 3)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H](C(C(=O)O[C@@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28+,31?,32-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair
Linoleate 9S-lipoxygenase-4


(Glycine max (Soybean) (Glycine hispida))
BDBM50133496
PNG
((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
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CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 1.15E+6n/an/an/an/an/a25



University of Athens



Assay Description
soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO. Each experiment of the in vitro assay wa...


J Enzyme Inhib Med Chem 22: 99-104 (2007)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q22N50VW
More data for this
Ligand-Target Pair