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PubMed code 27325447

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))
BDBM50182889
PNG
(CHEMBL3818849)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccc(I)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-7-4-10(16(17)18)8-13(12)21-11-5-2-9(14)3-6-11/h2-8,15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50182990
PNG
(CHEMBL3818762)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1I)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-11-7-6-9(16(17)18)8-13(11)21-12-5-3-2-4-10(12)14/h2-8,15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182889
PNG
(CHEMBL3818849)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccc(I)cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-7-4-10(16(17)18)8-13(12)21-11-5-2-9(14)3-6-11/h2-8,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182989
PNG
(CHEMBL3819010)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1cccc(I)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-6-5-10(16(17)18)8-13(12)21-11-4-2-3-9(14)7-11/h2-8,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50182989
PNG
(CHEMBL3819010)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1cccc(I)c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-12-6-5-10(16(17)18)8-13(12)21-11-4-2-3-9(14)7-11/h2-8,15H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50182990
PNG
(CHEMBL3818762)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1I)[N+]([O-])=O
Show InChI InChI=1S/C13H11IN2O5S/c1-22(19,20)15-11-7-6-9(16(17)18)8-13(11)21-12-5-3-2-4-10(12)14/h2-8,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 24: 3727-33 (2016)


Article DOI: 10.1016/j.bmc.2016.06.015
BindingDB Entry DOI: 10.7270/Q2HX1FMD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%