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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50224125   
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))
BDBM50224125
PNG
(CHEMBL393159 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13H,4H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/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)
BDBM50224125
PNG
(CHEMBL393159 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)C(=O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H20FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13H,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 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