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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50224127   
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))
BDBM50224127
PNG
(CHEMBL398384 | ethyl-2-methyl-1-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50224127
PNG
(CHEMBL398384 | ethyl-2-methyl-1-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-6-16(2)7-9-18)24(17(19)3)20-10-12-21(13-11-20)29(4,26)27/h6-14H,5,15H2,1-4H3
PDB
MMDB

Reactome pathway
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



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair