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PubMed code 26117820

Compile data set for download or QSAR
Found 18 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))		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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PubMed
 9.86E+3n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114413
PNG
(CHEMBL3608346)
Show SMILES Oc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)c(O)c1
Show InChI InChI=1S/C24H17N5O4/c30-17-11-12-18(19(31)13-17)23-27-26-20(33-23)14-29-24(32)25-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13,30-31H,14H2
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 1.45E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114414
PNG
(CHEMBL3608347)
Show SMILES Nc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H18N6O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15,25H2
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 1.46E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
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 1.47E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114416
PNG
(CHEMBL3608351)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C25H19N5O3/c1-32-20-14-12-19(13-15-20)24-28-27-21(33-24)16-30-25(31)26-22(17-8-4-2-5-9-17)23(29-30)18-10-6-3-7-11-18/h2-15H,16H2,1H3
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 1.48E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114417
PNG
(CHEMBL3608353)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16N6O4/c31-24-25-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)28-29(24)15-20-26-27-23(34-20)18-11-13-19(14-12-18)30(32)33/h1-14H,15H2
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 1.48E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114413
PNG
(CHEMBL3608346)
Show SMILES Oc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)c(O)c1
Show InChI InChI=1S/C24H17N5O4/c30-17-11-12-18(19(31)13-17)23-27-26-20(33-23)14-29-24(32)25-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13,30-31H,14H2
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n/an/a 3.07E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114414
PNG
(CHEMBL3608347)
Show SMILES Nc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H18N6O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15,25H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
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n/an/a 3.13E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114417
PNG
(CHEMBL3608353)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16N6O4/c31-24-25-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)28-29(24)15-20-26-27-23(34-20)18-11-13-19(14-12-18)30(32)33/h1-14H,15H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50114416
PNG
(CHEMBL3608351)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C25H19N5O3/c1-32-20-14-12-19(13-15-20)24-28-27-21(33-24)16-30-25(31)26-22(17-8-4-2-5-9-17)23(29-30)18-10-6-3-7-11-18/h2-15H,16H2,1H3
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n/an/a 3.23E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 3.74E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 3.93E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50114413
PNG
(CHEMBL3608346)
Show SMILES Oc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)c(O)c1
Show InChI InChI=1S/C24H17N5O4/c30-17-11-12-18(19(31)13-17)23-27-26-20(33-23)14-29-24(32)25-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13,30-31H,14H2
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n/an/a 4.33E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50114414
PNG
(CHEMBL3608347)
Show SMILES Nc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H18N6O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15,25H2
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n/an/a 4.34E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
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n/an/a 4.42E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50114417
PNG
(CHEMBL3608353)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16N6O4/c31-24-25-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)28-29(24)15-20-26-27-23(34-20)18-11-13-19(14-12-18)30(32)33/h1-14H,15H2
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n/an/a 4.48E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50114416
PNG
(CHEMBL3608351)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C25H19N5O3/c1-32-20-14-12-19(13-15-20)24-28-27-21(33-24)16-30-25(31)26-22(17-8-4-2-5-9-17)23(29-30)18-10-6-3-7-11-18/h2-15H,16H2,1H3
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n/an/a 4.49E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay

Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%