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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 = 50168777   
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))
BDBM50168777
PNG
(3-[1-(4-Chloro-benzyl)-5-(3-fluoro-4-pyrazin-2-yl-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1cnccn1
Show InChI InChI=1S/C31H27ClFN3O2/c1-19-25-14-21(22-6-10-24(26(33)15-22)27-17-34-12-13-35-27)7-11-28(25)36(18-20-4-8-23(32)9-5-20)29(19)16-31(2,3)30(37)38/h4-15,17H,16,18H2,1-3H3,(H,37,38)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/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