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PubMed code 24576797

Compile data set for download or QSAR
Found 8 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 280n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50044258
PNG
(CHEMBL3337489)
Show SMILES Nn1c(Cn2c(nc3ccccc23)-c2ccco2)n[nH]c1=S
Show InChI InChI=1S/C14H12N6OS/c15-20-12(17-18-14(20)22)8-19-10-5-2-1-4-9(10)16-13(19)11-6-3-7-21-11/h1-7H,8,15H2,(H,18,22)
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Article
PubMed
n/an/a 360n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50044256
PNG
(CHEMBL3337482)
Show SMILES Cc1ccc(o1)-c1nc2ccccc2n1CC(=O)NN
Show InChI InChI=1S/C14H14N4O2/c1-9-6-7-12(20-9)14-16-10-4-2-3-5-11(10)18(14)8-13(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50044257
PNG
(CHEMBL3337483)
Show SMILES NNC(=O)Cn1c(nc2ccccc12)-c1ccc(CNc2ccncc2)o1
Show InChI InChI=1S/C19H18N6O2/c20-24-18(26)12-25-16-4-2-1-3-15(16)23-19(25)17-6-5-14(27-17)11-22-13-7-9-21-10-8-13/h1-10H,11-12,20H2,(H,21,22)(H,24,26)
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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
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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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50044258
PNG
(CHEMBL3337489)
Show SMILES Nn1c(Cn2c(nc3ccccc23)-c2ccco2)n[nH]c1=S
Show InChI InChI=1S/C14H12N6OS/c15-20-12(17-18-14(20)22)8-19-10-5-2-1-4-9(10)16-13(19)11-6-3-7-21-11/h1-7H,8,15H2,(H,18,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50044257
PNG
(CHEMBL3337483)
Show SMILES NNC(=O)Cn1c(nc2ccccc12)-c1ccc(CNc2ccncc2)o1
Show InChI InChI=1S/C19H18N6O2/c20-24-18(26)12-25-16-4-2-1-3-15(16)23-19(25)17-6-5-14(27-17)11-22-13-7-9-21-10-8-13/h1-10H,11-12,20H2,(H,21,22)(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50044256
PNG
(CHEMBL3337482)
Show SMILES Cc1ccc(o1)-c1nc2ccccc2n1CC(=O)NN
Show InChI InChI=1S/C14H14N4O2/c1-9-6-7-12(20-9)14-16-10-4-2-3-5-11(10)18(14)8-13(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Research Centre, Dokki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay


Eur J Med Chem 87: 868-80 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.063
BindingDB Entry DOI: 10.7270/Q2BK1F0B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%