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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'ahmed' and Initial = 'af'   
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 66n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 70n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202550
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C21H22N4O6S/c1-12(25-27)13-5-7-15(8-6-13)22-18(26)11-32-21-24-23-20(31-21)14-9-16(28-2)19(30-4)17(10-14)29-3/h5-10,27H,11H2,1-4H3,(H,22,26)/b25-12-
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n/an/a 750n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202549
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C19H18N4O4S/c1-12(23-25)13-3-7-15(8-4-13)20-17(24)11-28-19-22-21-18(27-19)14-5-9-16(26-2)10-6-14/h3-10,25H,11H2,1-2H3,(H,20,24)/b23-12-
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n/an/a 980n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202547
PNG
(N-(4-acetylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-12(22)13-7-9-15(10-8-13)19-16(23)11-25-18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202550
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C21H22N4O6S/c1-12(25-27)13-5-7-15(8-6-13)22-18(26)11-32-21-24-23-20(31-21)14-9-16(28-2)19(30-4)17(10-14)29-3/h5-10,27H,11H2,1-4H3,(H,22,26)/b25-12-
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n/an/a 2.12E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202549
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C19H18N4O4S/c1-12(23-25)13-3-7-15(8-4-13)20-17(24)11-28-19-22-21-18(27-19)14-5-9-16(26-2)10-6-14/h3-10,25H,11H2,1-2H3,(H,20,24)/b23-12-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202547
PNG
(N-(4-acetylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-12(22)13-7-9-15(10-8-13)19-16(23)11-25-18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202548
PNG
(N-(4-acetylphenyl)-2-{[5-(4-chlorophenyl)-1,3,4-ox...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14ClN3O3S/c1-11(23)12-4-8-15(9-5-12)20-16(24)10-26-18-22-21-17(25-18)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,24)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202548
PNG
(N-(4-acetylphenyl)-2-{[5-(4-chlorophenyl)-1,3,4-ox...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14ClN3O3S/c1-11(23)12-4-8-15(9-5-12)20-16(24)10-26-18-22-21-17(25-18)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,24)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202551
PNG
(N-(4-acetylphenyl)-2-[(5-{1-[4-(2-methylpropyl)phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)o1
Show InChI InChI=1S/C24H27N3O3S/c1-15(2)13-18-5-7-19(8-6-18)16(3)23-26-27-24(30-23)31-14-22(29)25-21-11-9-20(10-12-21)17(4)28/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)
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n/an/a 7.03E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202551
PNG
(N-(4-acetylphenyl)-2-[(5-{1-[4-(2-methylpropyl)phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)o1
Show InChI InChI=1S/C24H27N3O3S/c1-15(2)13-18-5-7-19(8-6-18)16(3)23-26-27-24(30-23)31-14-22(29)25-21-11-9-20(10-12-21)17(4)28/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)
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n/an/a 7.05E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair