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6 similar compounds to monomer 22364

Compile data set for download or QSAR
Wt: 314.3
BDBM22353
Wt: 314.3
BDBM22355
Wt: 300.3
BDBM22356
Wt: 344.3
BDBM22357
Wt: 374.4
BDBM22358
Wt: 330.3
BDBM22365

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 22353,22355,22356,22357,22358,22365   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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PubMed
n/an/a 3.15E+4n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a>1.00E+5n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
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n/an/a 3.30E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+5n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 1.00E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 2


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 2


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 1


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 1


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 2


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 1


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 2


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 1


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 2


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22358
PNG
(1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfo...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O6S/c1-23-17-11-14(12-18(24-2)19(17)25-3)16(20)10-7-13-5-8-15(9-6-13)26(4,21)22/h5-6,8-9,11-12H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against ovine cyclooxygenase 1


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair