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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 = 50168763   
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))
BDBM50168763
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluoro-3'-methylbipheny...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1cccc(C)c1
Show InChI InChI=1S/C34H31ClFNO2/c1-21-6-5-7-26(16-21)28-14-10-25(18-30(28)36)24-11-15-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-8-12-27(35)13-9-23/h5-18H,19-20H2,1-4H3,(H,38,39)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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