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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50397237'   
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))
BDBM50397237
PNG
(CHEMBL2172788)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O3S/c1-17-7-13-22(14-8-17)32(30,31)27-23(29)15-19-16-28(21-5-3-2-4-6-21)26-24(19)18-9-11-20(25)12-10-18/h2-14,16H,15H2,1H3,(H,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair