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PubMed code 16509583

Compile data set for download or QSAR
Found 114 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
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PubMed
n/an/a 70n/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))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(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 100n/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))
BDBM22361
PNG
(1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3
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n/an/a 100n/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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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n/an/a 100n/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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22367
PNG
(1,3-Diarylprop-2-yn-1-one, 26b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3
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n/an/a 250n/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
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))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,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
Lipoxygenase-1


(Glycine max (soybean))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,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))
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/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 320n/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
Lipoxygenase-1


(Glycine max (soybean))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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n/an/a 320n/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))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/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 320n/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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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n/an/a 320n/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))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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n/an/a 320n/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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/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))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/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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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))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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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))
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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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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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))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 500n/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
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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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))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3
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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))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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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))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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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))
BDBM22344
PNG
(1,3-Diarylprop-2-yn-1-one, 13a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
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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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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))
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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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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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))
BDBM22361
PNG
(1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3
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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))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(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 1.10E+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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22366
PNG
(1,3-Diarylprop-2-yn-1-one, 26a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
Show InChI InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3
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n/an/a 1.50E+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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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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))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 2.40E+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))
BDBM22362
PNG
(1,3-Diarylprop-2-yn-1-one, 17b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H14O3S/c1-24(22,23)17-12-9-15(10-13-17)11-14-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,12-13H,1H3
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n/an/a 2.60E+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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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n/an/a 3.00E+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))
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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n/an/a 3.00E+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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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n/an/a 3.10E+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))
BDBM22349
PNG
(1,3-Diarylprop-2-yn-1-one, 13f | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O3S/c1-24(22,23)15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
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n/an/a 3.10E+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))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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n/an/a 3.20E+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))
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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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))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 3.20E+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))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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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))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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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))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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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
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
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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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))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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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))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22347
PNG
(1,3-Diarylprop-2-yn-1-one, 13d | 1-(4-butylphenyl)...)
Show SMILES CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H20O3S/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(14-9-17)24(2,22)23/h6-9,11-14H,3-5H2,1-2H3
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n/an/a 4.50E+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))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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n/an/a 5.00E+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))
BDBM22367
PNG
(1,3-Diarylprop-2-yn-1-one, 26b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3
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n/an/a 6.20E+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))
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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n/an/a 9.20E+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))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/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 9.20E+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
Lipoxygenase-1


(Glycine max (soybean))
BDBM22362
PNG
(1,3-Diarylprop-2-yn-1-one, 17b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H14O3S/c1-24(22,23)17-12-9-15(10-13-17)11-14-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,12-13H,1H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22362
PNG
(1,3-Diarylprop-2-yn-1-one, 17b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H14O3S/c1-24(22,23)17-12-9-15(10-13-17)11-14-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,12-13H,1H3
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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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22349
PNG
(1,3-Diarylprop-2-yn-1-one, 13f | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O3S/c1-24(22,23)15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22344
PNG
(1,3-Diarylprop-2-yn-1-one, 13a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
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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))
BDBM22345
PNG
(1,3-Diarylprop-2-yn-1-one, 13b | 3-(4-methanesulfo...)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(11-6-14)21(2,19)20/h3-6,8-11H,1-2H3
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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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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))
BDBM22344
PNG
(1,3-Diarylprop-2-yn-1-one, 13a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
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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))
BDBM22344
PNG
(1,3-Diarylprop-2-yn-1-one, 13a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22366
PNG
(1,3-Diarylprop-2-yn-1-one, 26a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
Show InChI InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3
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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))
BDBM22367
PNG
(1,3-Diarylprop-2-yn-1-one, 26b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3
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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))
BDBM22347
PNG
(1,3-Diarylprop-2-yn-1-one, 13d | 1-(4-butylphenyl)...)
Show SMILES CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H20O3S/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(14-9-17)24(2,22)23/h6-9,11-14H,3-5H2,1-2H3
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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))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(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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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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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))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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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))
BDBM22349
PNG
(1,3-Diarylprop-2-yn-1-one, 13f | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O3S/c1-24(22,23)15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
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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))
BDBM22345
PNG
(1,3-Diarylprop-2-yn-1-one, 13b | 3-(4-methanesulfo...)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(11-6-14)21(2,19)20/h3-6,8-11H,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
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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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
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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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))
BDBM22371
PNG
(1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3
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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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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))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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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))
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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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))
BDBM22371
PNG
(1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3
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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))
BDBM22366
PNG
(1,3-Diarylprop-2-yn-1-one, 26a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
Show InChI InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3
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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))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22347
PNG
(1,3-Diarylprop-2-yn-1-one, 13d | 1-(4-butylphenyl)...)
Show SMILES CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H20O3S/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(14-9-17)24(2,22)23/h6-9,11-14H,3-5H2,1-2H3
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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
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))
BDBM22361
PNG
(1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22364
PNG
(1,3-Diarylprop-2-yn-1-one, 23a | 1-(4-hydroxy-3-me...)
Show SMILES COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-11-13(6-10-16(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 3.00E+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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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n/an/a 3.00E+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
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
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/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))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22367
PNG
(1,3-Diarylprop-2-yn-1-one, 26b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-3,5-10H,1H3
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n/an/a 3.16E+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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22366
PNG
(1,3-Diarylprop-2-yn-1-one, 26a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
Show InChI InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3
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n/an/a 3.22E+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
Cyclooxygenase


(Homo sapiens (Human))
BDBM22345
PNG
(1,3-Diarylprop-2-yn-1-one, 13b | 3-(4-methanesulfo...)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(11-6-14)21(2,19)20/h3-6,8-11H,1-2H3
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n/an/a 3.30E+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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.31E+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
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))
BDBM22371
PNG
(1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3
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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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3
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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))
BDBM22347
PNG
(1,3-Diarylprop-2-yn-1-one, 13d | 1-(4-butylphenyl)...)
Show SMILES CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H20O3S/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(14-9-17)24(2,22)23/h6-9,11-14H,3-5H2,1-2H3
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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))
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/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))
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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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))
BDBM22361
PNG
(1,3-Diarylprop-2-yn-1-one, 17a | 1-(furan-3-yl)-3-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
Show InChI InChI=1S/C14H10O4S/c1-19(16,17)13-5-2-11(3-6-13)4-7-14(15)12-8-9-18-10-12/h2-3,5-6,8-10H,1H3
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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))
BDBM22345
PNG
(1,3-Diarylprop-2-yn-1-one, 13b | 3-(4-methanesulfo...)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(11-6-14)21(2,19)20/h3-6,8-11H,1-2H3
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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))
BDBM22349
PNG
(1,3-Diarylprop-2-yn-1-one, 13f | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O3S/c1-24(22,23)15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,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))
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
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))
BDBM22362
PNG
(1,3-Diarylprop-2-yn-1-one, 17b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H14O3S/c1-24(22,23)17-12-9-15(10-13-17)11-14-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,12-13H,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))
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))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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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))
BDBM22371
PNG
(1,3-Diarylprop-2-yn-1-one, 28 | 1,3-bis(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S2/c1-23(19,20)15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(11-7-14)24(2,21)22/h3-4,6-11H,1-2H3
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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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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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
* indicates data uncertainty>20%