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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'alatas' and Initial = ''   
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))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 0.700n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 8.10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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n/an/a 8.60n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 9.5n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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n/an/a 9.70n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038395
PNG
(CHEMBL3361120)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C19H14N2O2/c1-23-16-7-8-18-17(10-16)15(12-21-18)6-9-19(22)14-4-2-13(11-20)3-5-14/h2-10,12,21H,1H3/b9-6+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038396
PNG
(CHEMBL3361121)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038397
PNG
(CHEMBL3361122)
Show SMILES Clc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11ClN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038398
PNG
(CHEMBL3361123)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038400
PNG
(CHEMBL3361125)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3S/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(11-8-14)24(2,22)23/h3-13H,1-2H3/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50038421
PNG
(CHEMBL3361127)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14(23)21-17-10-7-15(8-11-17)20(24)12-9-16-13-22(2)19-6-4-3-5-18(16)19/h3-13H,1-2H3,(H,21,23)/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038400
PNG
(CHEMBL3361125)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3S/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(11-8-14)24(2,22)23/h3-13H,1-2H3/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038398
PNG
(CHEMBL3361123)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038397
PNG
(CHEMBL3361122)
Show SMILES Clc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11ClN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038396
PNG
(CHEMBL3361121)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038421
PNG
(CHEMBL3361127)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14(23)21-17-10-7-15(8-11-17)20(24)12-9-16-13-22(2)19-6-4-3-5-18(16)19/h3-13H,1-2H3,(H,21,23)/b12-9+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038395
PNG
(CHEMBL3361120)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C19H14N2O2/c1-23-16-7-8-18-17(10-16)15(12-21-18)6-9-19(22)14-4-2-13(11-20)3-5-14/h2-10,12,21H,1H3/b9-6+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair