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PubMed code 22118829

Compile data set for download or QSAR
Found 13 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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359871
PNG
(CHEMBL1929096)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C21H24O2S/c1-16(2)18-8-10-19(11-9-18)21(22)5-4-14-23-15-17-6-12-20(24-3)13-7-17/h6-13,16,21-22H,14-15H2,1-3H3
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359870
PNG
(CHEMBL1929095)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H17FO2S/c1-22-17-10-4-14(5-11-17)13-21-12-2-3-18(20)15-6-8-16(19)9-7-15/h4-11,18,20H,12-13H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359868
PNG
(CHEMBL1929093)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C19H17NO2S/c1-23-18-10-6-16(7-11-18)14-22-12-2-3-19(21)17-8-4-15(13-20)5-9-17/h4-11,19,21H,12,14H2,1H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359869
PNG
(CHEMBL1929094)
Show SMILES CSc1ccc(COCC#CC(O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H17NO4S/c1-24-17-9-7-14(8-10-17)13-23-11-3-6-18(20)15-4-2-5-16(12-15)19(21)22/h2,4-5,7-10,12,18,20H,11,13H2,1H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359864
PNG
(CHEMBL1929089)
Show SMILES COc1cccc(C(O)C#CCOCc2ccc(SC)cc2)c1OC
Show InChI InChI=1S/C20H22O4S/c1-22-19-8-4-6-17(20(19)23-2)18(21)7-5-13-24-14-15-9-11-16(25-3)12-10-15/h4,6,8-12,18,21H,13-14H2,1-3H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359865
PNG
(CHEMBL1929090)
Show SMILES COc1ccc(C(O)C#CCOCc2ccc(SC)cc2)c(OC)c1OC
Show InChI InChI=1S/C21H24O5S/c1-23-19-12-11-17(20(24-2)21(19)25-3)18(22)6-5-13-26-14-15-7-9-16(27-4)10-8-15/h7-12,18,22H,13-14H2,1-4H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359866
PNG
(CHEMBL1929091)
Show SMILES COc1ccc(cc1OC)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C20H22O4S/c1-22-19-11-8-16(13-20(19)23-2)18(21)5-4-12-24-14-15-6-9-17(25-3)10-7-15/h6-11,13,18,21H,12,14H2,1-3H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359867
PNG
(CHEMBL1929092)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C21H24O5S/c1-23-19-12-16(13-20(24-2)21(19)25-3)18(22)6-5-11-26-14-15-7-9-17(27-4)10-8-15/h7-10,12-13,18,22H,11,14H2,1-4H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359862
PNG
(CHEMBL1929087)
Show SMILES CCCCCC(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C17H24O2S/c1-3-4-5-7-16(18)8-6-13-19-14-15-9-11-17(20-2)12-10-15/h9-12,16,18H,3-5,7,13-14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359863
PNG
(CHEMBL1929088)
Show SMILES COc1ccc(cc1)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C19H20O3S/c1-21-17-9-7-16(8-10-17)19(20)4-3-13-22-14-15-5-11-18(23-2)12-6-15/h5-12,19-20H,13-14H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359861
PNG
(CHEMBL1929086)
Show SMILES OC(C#CCOCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H16O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,13-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359860
PNG
(CHEMBL1929097)
Show SMILES CCCC(O)C#CCOCc1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-7-14(15)10-6-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,7,11-12H2,1H3
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n/an/a 7.60E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%