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PubMed code 17937989

Compile data set for download or QSAR
Found 6 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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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50225131
PNG
(2-sulfonamido-5-(4'-methoxyphenyl)-6-(4''-(methyls...)
Show SMILES COc1ccc(cc1)-c1c(nc2sc(nn12)S(N)(=O)=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16N4O5S3/c1-27-13-7-3-12(4-8-13)16-15(11-5-9-14(10-6-11)29(2,23)24)20-17-22(16)21-18(28-17)30(19,25)26/h3-10H,1-2H3,(H2,19,25,26)
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PubMed
n/an/a 3.24E+3n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50225132
PNG
(2-trifluoromethyl-5-phenyl-6-(4''-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sc(nn2c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H12F3N3O2S2/c1-28(25,26)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)24-17(22-14)27-16(23-24)18(19,20)21/h2-10H,1H3
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PubMed
n/an/a 4.79E+3n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
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 1.30E+4n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50225132
PNG
(2-trifluoromethyl-5-phenyl-6-(4''-(methylsulfonyl)...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sc(nn2c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H12F3N3O2S2/c1-28(25,26)13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)24-17(22-14)27-16(23-24)18(19,20)21/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50225131
PNG
(2-sulfonamido-5-(4'-methoxyphenyl)-6-(4''-(methyls...)
Show SMILES COc1ccc(cc1)-c1c(nc2sc(nn12)S(N)(=O)=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16N4O5S3/c1-27-13-7-3-12(4-8-13)16-15(11-5-9-14(10-6-11)29(2,23)24)20-17-22(16)21-18(28-17)30(19,25)26/h3-10H,1-2H3,(H2,19,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The University of the West Indies

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 16: 276-83 (2008)


Article DOI: 10.1016/j.bmc.2007.09.038
BindingDB Entry DOI: 10.7270/Q22N520H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%