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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50253352   
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))
BDBM50253352
PNG
((+/-)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsulf...)
Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50253352
PNG
((+/-)-Ethyl-[2-hydroxy-2-[2-methyl-5-(4-methylsulf...)
Show SMILES CCOC(=O)C(O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in arachidonic acid-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair