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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50422568'   
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


(Mus musculus (Mouse))
BDBM50422568
PNG
(CHEMBL335024)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)28-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 392n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50422568
PNG
(CHEMBL335024)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)28-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.89E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair