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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'ahuja' and Initial = 'p'   
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-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 70n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297560
PNG
(3-[5-(3,4-Dimethoxy phenyl)-1,3,4-oxadiazol-2-yl]-...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C25H22N2O4/c1-29-22-14-12-20(16-23(22)30-2)25-27-26-24(31-25)15-13-21(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-12,14,16H,13,15H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297559
PNG
(3-[5-(4-Methoxyophenyl)-1,3,4-oxadiazol-2-yl]-1-(b...)
Show SMILES COc1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-13-11-20(12-14-21)24-26-25-23(29-24)16-15-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297561
PNG
(3-[(5-(2-Naphthoxymethyl)-1,3,4-oxadiazol-2-yl)-1-...)
Show SMILES O=C(CCc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H22N2O3/c31-26(23-12-10-22(11-13-23)20-6-2-1-3-7-20)16-17-27-29-30-28(33-27)19-32-25-15-14-21-8-4-5-9-24(21)18-25/h1-15,18H,16-17,19H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50240374
PNG
(3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...)
Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50297558
PNG
(3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]-1-(biph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H17N3O4/c27-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)14-15-22-24-25-23(30-22)19-10-12-20(13-11-19)26(28)29/h1-13H,14-15H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
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/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50297558
PNG
(3-[5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl]-1-(biph...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H17N3O4/c27-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)14-15-22-24-25-23(30-22)19-10-12-20(13-11-19)26(28)29/h1-13H,14-15H2
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n/an/a 4.26E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50297561
PNG
(3-[(5-(2-Naphthoxymethyl)-1,3,4-oxadiazol-2-yl)-1-...)
Show SMILES O=C(CCc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H22N2O3/c31-26(23-12-10-22(11-13-23)20-6-2-1-3-7-20)16-17-27-29-30-28(33-27)19-32-25-15-14-21-8-4-5-9-24(21)18-25/h1-15,18H,16-17,19H2
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n/an/a 4.84E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50297559
PNG
(3-[5-(4-Methoxyophenyl)-1,3,4-oxadiazol-2-yl]-1-(b...)
Show SMILES COc1ccc(cc1)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-13-11-20(12-14-21)24-26-25-23(29-24)16-15-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
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n/an/a 5.23E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50297560
PNG
(3-[5-(3,4-Dimethoxy phenyl)-1,3,4-oxadiazol-2-yl]-...)
Show SMILES COc1ccc(cc1OC)-c1nnc(CCC(=O)c2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C25H22N2O4/c1-29-22-14-12-20(16-23(22)30-2)25-27-26-24(31-25)15-13-21(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-12,14,16H,13,15H2,1-2H3
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n/an/a 5.41E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme-immuno assay


Eur J Med Chem 44: 3798-804 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.009
BindingDB Entry DOI: 10.7270/Q2J1036V
More data for this
Ligand-Target Pair