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PubMed code 24763362

Compile data set for download or QSAR
Found 22 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))		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 150n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 180n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015226
PNG
(CHEMBL3262708)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3ccccc3)c2c1O
Show InChI InChI=1S/C20H18O3/c1-13-11-16-9-6-10-17(19(16)20(22)18(13)14(2)21)23-12-15-7-4-3-5-8-15/h3-11,22H,12H2,1-2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015229
PNG
(CHEMBL3262717)
Show SMILES Cc1cc(OCC=C)c2C(=O)c3c(OCC=C)cccc3C(=O)c2c1
Show InChI InChI=1S/C21H18O4/c1-4-9-24-16-8-6-7-14-18(16)21(23)19-15(20(14)22)11-13(3)12-17(19)25-10-5-2/h4-8,11-12H,1-2,9-10H2,3H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015227
PNG
(CHEMBL3262710)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3ccccc3Br)c2c1O
Show InChI InChI=1S/C20H17BrO3/c1-12-10-14-7-5-9-17(19(14)20(23)18(12)13(2)22)24-11-15-6-3-4-8-16(15)21/h3-10,23H,11H2,1-2H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015228
PNG
(CHEMBL3262712)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3cccc(Cl)c3)c2c1O
Show InChI InChI=1S/C20H17ClO3/c1-12-9-15-6-4-8-17(19(15)20(23)18(12)13(2)22)24-11-14-5-3-7-16(21)10-14/h3-10,23H,11H2,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015226
PNG
(CHEMBL3262708)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3ccccc3)c2c1O
Show InChI InChI=1S/C20H18O3/c1-13-11-16-9-6-10-17(19(16)20(22)18(13)14(2)21)23-12-15-7-4-3-5-8-15/h3-11,22H,12H2,1-2H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015231
PNG
(CHEMBL3262720)
Show SMILES Cc1cc(OCc2ccc(I)cc2)c2C(=O)c3c(OCc4ccc(I)cc4)cccc3C(=O)c2c1
Show InChI InChI=1S/C29H20I2O4/c1-17-13-23-27(25(14-17)35-16-19-7-11-21(31)12-8-19)29(33)26-22(28(23)32)3-2-4-24(26)34-15-18-5-9-20(30)10-6-18/h2-14H,15-16H2,1H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015225
PNG
(CHEMBL3262706)
Show SMILES COCOc1cccc2cc(C)c(C(C)=O)c(O)c12
Show InChI InChI=1S/C15H16O4/c1-9-7-11-5-4-6-12(19-8-18-3)14(11)15(17)13(9)10(2)16/h4-7,17H,8H2,1-3H3
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n/an/a 1.72E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015225
PNG
(CHEMBL3262706)
Show SMILES COCOc1cccc2cc(C)c(C(C)=O)c(O)c12
Show InChI InChI=1S/C15H16O4/c1-9-7-11-5-4-6-12(19-8-18-3)14(11)15(17)13(9)10(2)16/h4-7,17H,8H2,1-3H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015230
PNG
(CHEMBL3262718)
Show SMILES Cc1cc(OCc2ccccc2)c2C(=O)c3c(OCc4ccccc4)cccc3C(=O)c2c1
Show InChI InChI=1S/C29H22O4/c1-19-15-23-27(25(16-19)33-18-21-11-6-3-7-12-21)29(31)26-22(28(23)30)13-8-14-24(26)32-17-20-9-4-2-5-10-20/h2-16H,17-18H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015228
PNG
(CHEMBL3262712)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3cccc(Cl)c3)c2c1O
Show InChI InChI=1S/C20H17ClO3/c1-12-9-15-6-4-8-17(19(15)20(23)18(12)13(2)22)24-11-14-5-3-7-16(21)10-14/h3-10,23H,11H2,1-2H3
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n/an/a 2.22E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015227
PNG
(CHEMBL3262710)
Show SMILES CC(=O)c1c(C)cc2cccc(OCc3ccccc3Br)c2c1O
Show InChI InChI=1S/C20H17BrO3/c1-12-10-14-7-5-9-17(19(14)20(23)18(12)13(2)22)24-11-15-6-3-4-8-16(15)21/h3-10,23H,11H2,1-2H3
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n/an/a 2.45E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015232
PNG
(CHEBI:7520 | NEPODIN)
Show SMILES CC(=O)c1c(C)cc2cccc(O)c2c1O
Show InChI InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3
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n/an/a 2.74E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015229
PNG
(CHEMBL3262717)
Show SMILES Cc1cc(OCC=C)c2C(=O)c3c(OCC=C)cccc3C(=O)c2c1
Show InChI InChI=1S/C21H18O4/c1-4-9-24-16-8-6-7-14-18(16)21(23)19-15(20(14)22)11-13(3)12-17(19)25-10-5-2/h4-8,11-12H,1-2,9-10H2,3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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>3.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
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>3.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015231
PNG
(CHEMBL3262720)
Show SMILES Cc1cc(OCc2ccc(I)cc2)c2C(=O)c3c(OCc4ccc(I)cc4)cccc3C(=O)c2c1
Show InChI InChI=1S/C29H20I2O4/c1-17-13-23-27(25(14-17)35-16-19-7-11-21(31)12-8-19)29(33)26-22(28(23)32)3-2-4-24(26)34-15-18-5-9-20(30)10-6-18/h2-14H,15-16H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50015230
PNG
(CHEMBL3262718)
Show SMILES Cc1cc(OCc2ccccc2)c2C(=O)c3c(OCc4ccccc4)cccc3C(=O)c2c1
Show InChI InChI=1S/C29H22O4/c1-19-15-23-27(25(16-19)33-18-21-11-6-3-7-12-21)29(31)26-22(28(23)30)13-8-14-24(26)32-17-20-9-4-2-5-10-20/h2-16H,17-18H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50015232
PNG
(CHEBI:7520 | NEPODIN)
Show SMILES CC(=O)c1c(C)cc2cccc(O)c2c1O
Show InChI InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3
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n/an/a 3.23E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50455992
PNG
(CHEBI:3687 | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.61E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50455992
PNG
(CHEBI:3687 | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.62E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA

Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%