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Compile Data Set for Download or QSAR

Found 18 hits from Beni Suef University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-2 (COX-2)


(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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n/an/a 1.33E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175286
PNG
(3-(4-Aminosulfonylphenylamino)-2-(4-fluorophenyl)-...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3O3S2/c1-10-15(21)20(16(24-10)11-2-4-12(17)5-3-11)19-13-6-8-14(9-7-13)25(18,22)23/h2-10,16,19H,1H3,(H2,18,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175285
PNG
(3-(4-Aminosulfonylphenylamino)-2-(4-chlorophenyl)-...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN3O3S2/c1-10-15(21)20(16(24-10)11-2-4-12(17)5-3-11)19-13-6-8-14(9-7-13)25(18,22)23/h2-10,16,19H,1H3,(H2,18,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM60580
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-(4-trifl...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O3S2/c1-10-15(24)23(22-13-6-8-14(9-7-13)28(21,25)26)16(27-10)11-2-4-12(5-3-11)17(18,19)20/h2-10,16,22H,1H3,(H2,21,25,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175280
PNG
(2-(4-(4-Nitrophenyl)thiazol-2-ylimino)thiazolidin-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1csc(N=C2NC(=O)CS2)n1
Show InChI InChI=1S/C12H8N4O3S2/c17-10-6-21-12(14-10)15-11-13-9(5-20-11)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2,(H,13,14,15,17)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175284
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-(4-methy...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-11-3-5-13(6-4-11)17-20(16(21)12(2)24-17)19-14-7-9-15(10-8-14)25(18,22)23/h3-10,12,17,19H,1-2H3,(H2,18,22,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175282
PNG
(2-(4-(4-Methanesulfonamidophenyl)thiazol-2-ylimino...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(\N=C2\NC(=O)CS2)n1
Show InChI InChI=1S/C13H12N4O3S3/c1-23(19,20)17-9-4-2-8(3-5-9)10-6-21-12(14-10)16-13-15-11(18)7-22-13/h2-6,17H,7H2,1H3,(H,14,15,16,18)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175281
PNG
(2-(4-(4-Isobutylphenyl)thiazol-2-ylimino)thiazolid...)
Show SMILES CC(C)Cc1ccc(cc1)-c1csc(N=C2NC(=O)CS2)n1
Show InChI InChI=1S/C16H17N3OS2/c1-10(2)7-11-3-5-12(6-4-11)13-8-21-15(17-13)19-16-18-14(20)9-22-16/h3-6,8,10H,7,9H2,1-2H3,(H,17,18,19,20)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM175283
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-phenyl-4...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O3S2/c1-11-15(20)19(16(23-11)12-5-3-2-4-6-12)18-13-7-9-14(10-8-13)24(17,21)22/h2-11,16,18H,1H3,(H2,17,21,22)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
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 9.70E+3n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175285
PNG
(3-(4-Aminosulfonylphenylamino)-2-(4-chlorophenyl)-...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClN3O3S2/c1-10-15(21)20(16(24-10)11-2-4-12(17)5-3-11)19-13-6-8-14(9-7-13)25(18,22)23/h2-10,16,19H,1H3,(H2,18,22,23)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175286
PNG
(3-(4-Aminosulfonylphenylamino)-2-(4-fluorophenyl)-...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3O3S2/c1-10-15(21)20(16(24-10)11-2-4-12(17)5-3-11)19-13-6-8-14(9-7-13)25(18,22)23/h2-10,16,19H,1H3,(H2,18,22,23)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM60580
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-(4-trifl...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O3S2/c1-10-15(24)23(22-13-6-8-14(9-7-13)28(21,25)26)16(27-10)11-2-4-12(5-3-11)17(18,19)20/h2-10,16,22H,1H3,(H2,21,25,26)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175280
PNG
(2-(4-(4-Nitrophenyl)thiazol-2-ylimino)thiazolidin-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1csc(N=C2NC(=O)CS2)n1
Show InChI InChI=1S/C12H8N4O3S2/c17-10-6-21-12(14-10)15-11-13-9(5-20-11)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2,(H,13,14,15,17)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175282
PNG
(2-(4-(4-Methanesulfonamidophenyl)thiazol-2-ylimino...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(\N=C2\NC(=O)CS2)n1
Show InChI InChI=1S/C13H12N4O3S3/c1-23(19,20)17-9-4-2-8(3-5-9)10-6-21-12(14-10)16-13-15-11(18)7-22-13/h2-6,17H,7H2,1H3,(H,14,15,16,18)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175284
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-(4-methy...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-11-3-5-13(6-4-11)17-20(16(21)12(2)24-17)19-14-7-9-15(10-8-14)25(18,22)23/h3-10,12,17,19H,1-2H3,(H2,18,22,23)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175281
PNG
(2-(4-(4-Isobutylphenyl)thiazol-2-ylimino)thiazolid...)
Show SMILES CC(C)Cc1ccc(cc1)-c1csc(N=C2NC(=O)CS2)n1
Show InChI InChI=1S/C16H17N3OS2/c1-10(2)7-11-3-5-12(6-4-11)13-8-21-15(17-13)19-16-18-14(20)9-22-16/h3-6,8,10H,7,9H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM175283
PNG
(3-(4-Aminosulfonylphenylamino)-5-methyl-2-phenyl-4...)
Show SMILES CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O3S2/c1-11-15(20)19(16(23-11)12-5-3-2-4-6-12)18-13-7-9-14(10-8-13)24(17,21)22/h2-11,16,18H,1H3,(H2,17,21,22)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Beni Suef University



Assay Description
The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Ki...


Bioorg Chem 64: 1-12 (2016)


Article DOI: 10.1016/j.bioorg.2015.11.001
BindingDB Entry DOI: 10.7270/Q24M939R
More data for this
Ligand-Target Pair