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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase 2' and Monomerid = 50168783   
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 2


(Homo sapiens (Human))
BDBM50168783
PNG
(3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isop...)
Show SMILES COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(ccc2n1Cc1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C28H36ClNO2S/c1-18(2)20-11-14-23-22(15-20)25(33-27(3,4)5)24(16-28(6,7)26(31)32-8)30(23)17-19-9-12-21(29)13-10-19/h9-15,18H,16-17H2,1-8H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)


Bioorg Med Chem Lett 15: 3352-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.027
BindingDB Entry DOI: 10.7270/Q21R6Q1X
More data for this
Ligand-Target Pair