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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8141   
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))
BDBM234409
PNG
([Au(tpp)Cl] (1))
Show SMILES Cl[Au]P(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/a25



University of Ioannina



Assay Description
Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the ap...


J Enzyme Inhib Med Chem 26: 592-7 (2011)


Article DOI: 10.3109/14756366.2010.529807
BindingDB Entry DOI: 10.7270/Q24F1PM2
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM234412
PNG
([Au(tpp)(Clmbzt)] (4))
Show SMILES Clc1ccc2sc(S[Au]P(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1
Show InChI InChI=1S/C18H15P.C7H4ClNS2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-4-1-2-6-5(3-4)9-7(10)11-6;/h1-15H;1-3H,(H,9,10);
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/a25



University of Ioannina



Assay Description
Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the ap...


J Enzyme Inhib Med Chem 26: 592-7 (2011)


Article DOI: 10.3109/14756366.2010.529807
BindingDB Entry DOI: 10.7270/Q24F1PM2
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM234410
PNG
([Au(tpp)(mtzd)] (2))
Show SMILES C1CN=C(S[Au]P(c2ccccc2)(c2ccccc2)c2ccccc2)S1 |t:2|
Show InChI InChI=1S/C18H15P.C3H5NS2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-3-4-1-2-6-3;/h1-15H;1-2H2,(H,4,5);
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.88E+4n/an/an/an/an/a25



University of Ioannina



Assay Description
Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the ap...


J Enzyme Inhib Med Chem 26: 592-7 (2011)


Article DOI: 10.3109/14756366.2010.529807
BindingDB Entry DOI: 10.7270/Q24F1PM2
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM234411
PNG
([Au(tpp)(mbzt)] (3))
Show SMILES S([Au]P(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C18H15P.C7H5NS2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-8-5-3-1-2-4-6(5)10-7;/h1-15H;1-4H,(H,8,9);
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.94E+4n/an/an/an/an/a25



University of Ioannina



Assay Description
Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the ap...


J Enzyme Inhib Med Chem 26: 592-7 (2011)


Article DOI: 10.3109/14756366.2010.529807
BindingDB Entry DOI: 10.7270/Q24F1PM2
More data for this
Ligand-Target Pair