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PubMed code 28500957

Compile data set for download or QSAR
Found 30 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
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227578
PNG
(5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14+
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n/an/a 11n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227581
PNG
(2-Phenyl-3-(pyridin-3-yl)-5-(pyridin-3-ylmethylene...)
Show SMILES O=C1NN(C(=N\C1=C\c1cccnc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
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n/an/a 14n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227580
PNG
(5-(2-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccccc1\C=C1\N=C(N(NC1=O)c1ccccc1)c1cccnc1 |c:10|
Show InChI InChI=1S/C21H16N4O2/c26-19-11-5-4-7-15(19)13-18-21(27)24-25(17-9-2-1-3-10-17)20(23-18)16-8-6-12-22-14-16/h1-14,26H,(H,24,27)/b18-13+
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n/an/a 17n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227579
PNG
(5-(4-(Dimethylamino) benzylidene)-2-phenyl-3-(pyri...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N5O/c1-27(2)19-12-10-17(11-13-19)15-21-23(29)26-28(20-8-4-3-5-9-20)22(25-21)18-7-6-14-24-16-18/h3-16H,1-2H3,(H,26,29)/b21-15+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227577
PNG
(5-(4-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H16N4O2/c26-18-10-8-15(9-11-18)13-19-21(27)24-25(17-6-2-1-3-7-17)20(23-19)16-5-4-12-22-14-16/h1-14,26H,(H,24,27)/b19-13+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227572
PNG
(4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)o...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C17H15N3O2/c1-20(2)14-7-5-12(6-8-14)10-15-17(21)22-16(19-15)13-4-3-9-18-11-13/h3-11H,1-2H3/b15-10+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227570
PNG
(4-(4-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227576
PNG
(5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-...)
Show SMILES Clc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H15ClN4O/c22-17-10-8-15(9-11-17)13-19-21(27)25-26(18-6-2-1-3-7-18)20(24-19)16-5-4-12-23-14-16/h1-14H,(H,25,27)/b19-13+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227575
PNG
(5-Benzylidene-2-phenyl-3-(pyridin-3-yl)-1,2-dihydr...)
Show SMILES O=C1NN(C(=N\C1=C\c1ccccc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H16N4O/c26-21-19(14-16-8-3-1-4-9-16)23-20(17-10-7-13-22-15-17)25(24-21)18-11-5-2-6-12-18/h1-15H,(H,24,26)/b19-14+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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 50n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227571
PNG
(4-(4-Methoxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES COc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227574
PNG
(2-(pyridin-3-yl)-4-(pyridin-3-ylmethylene)oxazol-5...)
Show SMILES O=C1OC(=N\C1=C/c1cccnc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C14H9N3O2/c18-14-12(7-10-3-1-5-15-8-10)17-13(19-14)11-4-2-6-16-9-11/h1-9H/b12-7-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227568
PNG
(4-Benzylidene-2-(pyridin-3-yl) oxazol-5(4H)-one (I...)
Show SMILES O=C1OC(=N\C1=C/c1ccccc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227572
PNG
(4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)o...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C17H15N3O2/c1-20(2)14-7-5-12(6-8-14)10-15-17(21)22-16(19-15)13-4-3-9-18-11-13/h3-11H,1-2H3/b15-10+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227581
PNG
(2-Phenyl-3-(pyridin-3-yl)-5-(pyridin-3-ylmethylene...)
Show SMILES O=C1NN(C(=N\C1=C\c1cccnc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227573
PNG
(4-(2-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccccc1\C=C1/N=C(OC1=O)c1cccnc1 |c:10|
Show InChI InChI=1S/C15H10N2O3/c18-13-6-2-1-4-10(13)8-12-15(19)20-14(17-12)11-5-3-7-16-9-11/h1-9,18H/b12-8-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227580
PNG
(5-(2-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccccc1\C=C1\N=C(N(NC1=O)c1ccccc1)c1cccnc1 |c:10|
Show InChI InChI=1S/C21H16N4O2/c26-19-11-5-4-7-15(19)13-18-21(27)24-25(17-9-2-1-3-10-17)20(23-18)16-8-6-12-22-14-16/h1-14,26H,(H,24,27)/b18-13+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227577
PNG
(5-(4-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H16N4O2/c26-18-10-8-15(9-11-18)13-19-21(27)24-25(17-6-2-1-3-7-17)20(23-19)16-5-4-12-22-14-16/h1-14,26H,(H,24,27)/b19-13+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227569
PNG
(4-(4-Chlorobenzylidene)-2-(pyridin-3-yl)oxazol-5(4...)
Show SMILES Clc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-3-10(4-6-12)8-13-15(19)20-14(18-13)11-2-1-7-17-9-11/h1-9H/b13-8+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227578
PNG
(5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227579
PNG
(5-(4-(Dimethylamino) benzylidene)-2-phenyl-3-(pyri...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N5O/c1-27(2)19-12-10-17(11-13-19)15-21-23(29)26-28(20-8-4-3-5-9-20)22(25-21)18-7-6-14-24-16-18/h3-16H,1-2H3,(H,26,29)/b21-15+
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n/an/a 116n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227575
PNG
(5-Benzylidene-2-phenyl-3-(pyridin-3-yl)-1,2-dihydr...)
Show SMILES O=C1NN(C(=N\C1=C\c1ccccc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H16N4O/c26-21-19(14-16-8-3-1-4-9-16)23-20(17-10-7-13-22-15-17)25(24-21)18-11-5-2-6-12-18/h1-15H,(H,24,26)/b19-14+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227576
PNG
(5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-...)
Show SMILES Clc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H15ClN4O/c22-17-10-8-15(9-11-17)13-19-21(27)25-26(18-6-2-1-3-7-18)20(24-19)16-5-4-12-23-14-16/h1-14H,(H,25,27)/b19-13+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227571
PNG
(4-(4-Methoxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES COc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C16H12N2O3/c1-20-13-6-4-11(5-7-13)9-14-16(19)21-15(18-14)12-3-2-8-17-10-12/h2-10H,1H3/b14-9+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227570
PNG
(4-(4-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
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n/an/a 270n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227574
PNG
(2-(pyridin-3-yl)-4-(pyridin-3-ylmethylene)oxazol-5...)
Show SMILES O=C1OC(=N\C1=C/c1cccnc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C14H9N3O2/c18-14-12(7-10-3-1-5-15-8-10)17-13(19-14)11-4-2-6-16-9-11/h1-9H/b12-7-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227568
PNG
(4-Benzylidene-2-(pyridin-3-yl) oxazol-5(4H)-one (I...)
Show SMILES O=C1OC(=N\C1=C/c1ccccc1)c1cccnc1 |c:3|
Show InChI InChI=1S/C15H10N2O2/c18-15-13(9-11-5-2-1-3-6-11)17-14(19-15)12-7-4-8-16-10-12/h1-10H/b13-9-
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227573
PNG
(4-(2-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccccc1\C=C1/N=C(OC1=O)c1cccnc1 |c:10|
Show InChI InChI=1S/C15H10N2O3/c18-13-6-2-1-4-10(13)8-12-15(19)20-14(17-12)11-5-3-7-16-9-11/h1-9,18H/b12-8-
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM227569
PNG
(4-(4-Chlorobenzylidene)-2-(pyridin-3-yl)oxazol-5(4...)
Show SMILES Clc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-3-10(4-6-12)8-13-15(19)20-14(18-13)11-2-1-7-17-9-11/h1-9H/b13-8+
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Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 1.48E+4n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%