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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50158193'   
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 1


(Ovis aries (Sheep))
BDBM50158193
PNG
(1-chloro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(Cl)cc1)\c1ccccc1
Show InChI InChI=1S/C21H17ClO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+
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



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Cyclooxygenase-1


Bioorg Med Chem Lett 15: 439-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.050
BindingDB Entry DOI: 10.7270/Q2GF0T0C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50158193
PNG
(1-chloro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(Cl)cc1)\c1ccccc1
Show InChI InChI=1S/C21H17ClO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+
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



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Cyclooxygenase-1


Bioorg Med Chem Lett 15: 439-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.050
BindingDB Entry DOI: 10.7270/Q2GF0T0C
More data for this
Ligand-Target Pair