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PubMed code 24631365

Compile data set for download or QSAR
Found 10 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 220n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50001212
PNG
(CHEMBL3236732)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCOCC2)=NN1 |c:26|
Show InChI InChI=1S/C17H19N7O2/c25-17-11-15(21-23-17)19-13-4-2-1-3-12(13)18-14-5-6-16(22-20-14)24-7-9-26-10-8-24/h1-6H,7-11H2,(H,18,20)(H,19,21)(H,23,25)
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n/an/a 390n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50001211
PNG
(CHEMBL3236731)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCCCC2)=NN1 |c:26|
Show InChI InChI=1S/C18H21N7O/c26-18-12-16(22-24-18)20-14-7-3-2-6-13(14)19-15-8-9-17(23-21-15)25-10-4-1-5-11-25/h2-3,6-9H,1,4-5,10-12H2,(H,19,21)(H,20,22)(H,24,26)
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n/an/a 500n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50001213
PNG
(CHEMBL3236733)
Show SMILES Clc1ccccc1Nc1ccc(Nc2ccccc2NC2=NNC(=O)C2)nn1 |t:22|
Show InChI InChI=1S/C19H16ClN7O/c20-12-5-1-2-6-13(12)21-16-9-10-17(25-24-16)22-14-7-3-4-8-15(14)23-18-11-19(28)27-26-18/h1-10H,11H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)
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n/an/a 720n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50001222
PNG
(CHEMBL3236734)
Show SMILES Clc1ccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)cc1 |t:19|
Show InChI InChI=1S/C19H16ClN7O/c20-12-5-7-13(8-6-12)21-16-9-10-17(25-24-16)22-14-3-1-2-4-15(14)23-18-11-19(28)27-26-18/h1-10H,11H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)
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n/an/a 840n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50001212
PNG
(CHEMBL3236732)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCOCC2)=NN1 |c:26|
Show InChI InChI=1S/C17H19N7O2/c25-17-11-15(21-23-17)19-13-4-2-1-3-12(13)18-14-5-6-16(22-20-14)24-7-9-26-10-8-24/h1-6H,7-11H2,(H,18,20)(H,19,21)(H,23,25)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50001211
PNG
(CHEMBL3236731)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCCCC2)=NN1 |c:26|
Show InChI InChI=1S/C18H21N7O/c26-18-12-16(22-24-18)20-14-7-3-2-6-13(14)19-15-8-9-17(23-21-15)25-10-4-1-5-11-25/h2-3,6-9H,1,4-5,10-12H2,(H,19,21)(H,20,22)(H,24,26)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50001213
PNG
(CHEMBL3236733)
Show SMILES Clc1ccccc1Nc1ccc(Nc2ccccc2NC2=NNC(=O)C2)nn1 |t:22|
Show InChI InChI=1S/C19H16ClN7O/c20-12-5-1-2-6-13(12)21-16-9-10-17(25-24-16)22-14-7-3-4-8-15(14)23-18-11-19(28)27-26-18/h1-10H,11H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)
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n/an/a 4.02E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50001222
PNG
(CHEMBL3236734)
Show SMILES Clc1ccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)cc1 |t:19|
Show InChI InChI=1S/C19H16ClN7O/c20-12-5-7-13(8-6-12)21-16-9-10-17(25-24-16)22-14-3-1-2-4-15(14)23-18-11-19(28)27-26-18/h1-10H,11H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)
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n/an/a 4.46E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA

Bioorg Med Chem 22: 2080-9 (2014)


Article DOI: 10.1016/j.bmc.2014.02.042
BindingDB Entry DOI: 10.7270/Q2VM4DRX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%