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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50313215'   
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 E synthase


(Homo sapiens (Human))
BDBM50313215
PNG
(4,6-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-7-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-10-14(26)6-8-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313215
PNG
(4,6-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-7-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-10-14(26)6-8-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair