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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'ahmed' and Initial = 'em'   
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 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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001212
PNG
(CHEMBL3236732)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCOCC2)=NN1
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001211
PNG
(CHEMBL3236731)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCCCC2)=NN1
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001213
PNG
(CHEMBL3236733)
Show SMILES Clc1ccccc1Nc1ccc(Nc2ccccc2NC2=NNC(=O)C2)nn1
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50001222
PNG
(CHEMBL3236734)
Show SMILES Clc1ccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)cc1
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001212
PNG
(CHEMBL3236732)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCOCC2)=NN1
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001211
PNG
(CHEMBL3236731)
Show SMILES O=C1CC(Nc2ccccc2Nc2ccc(nn2)N2CCCCC2)=NN1
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001213
PNG
(CHEMBL3236733)
Show SMILES Clc1ccccc1Nc1ccc(Nc2ccccc2NC2=NNC(=O)C2)nn1
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001222
PNG
(CHEMBL3236734)
Show SMILES Clc1ccc(Nc2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)cc1
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 (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>3.00E+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
3D
3D Structure (crystal)