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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 = 'BDBM50313201'   
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))
BDBM50313201
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1cccc(c1)C(=O)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O5S/c23-15-10-8-13(9-11-15)20(26)14-4-3-5-16(12-14)24-22(28)19-21(27)17-6-1-2-7-18(17)31(29,30)25-19/h1-12,25,27H,(H,24,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.16E+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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313201
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1cccc(c1)C(=O)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O5S/c23-15-10-8-13(9-11-15)20(26)14-4-3-5-16(12-14)24-22(28)19-21(27)17-6-1-2-7-18(17)31(29,30)25-19/h1-12,25,27H,(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 3.91E+3n/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