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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 = 'BDBM50386747'   
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))
BDBM50386747
PNG
(CHEMBL2049148)
Show SMILES CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N3O2/c1-2-5-29-35-28-17-16-24(34-30(37)25-6-3-4-7-27(25)33)18-26(28)31(38)36(29)19-20-8-10-21(11-9-20)22-12-14-23(32)15-13-22/h3-4,6-18H,2,5,19H2,1H3,(H,34,37)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 derived from IL1beta and TNFalpha stimulated human HeLa cells microsomal fraction using PGH2 as substrate preincubated for 30 m...


J Med Chem 55: 3792-803 (2012)


Article DOI: 10.1021/jm201687d
BindingDB Entry DOI: 10.7270/Q2QZ2C03
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50386747
PNG
(CHEMBL2049148)
Show SMILES CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N3O2/c1-2-5-29-35-28-17-16-24(34-30(37)25-6-3-4-7-27(25)33)18-26(28)31(38)36(29)19-20-8-10-21(11-9-20)22-12-14-23(32)15-13-22/h3-4,6-18H,2,5,19H2,1H3,(H,34,37)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...


Bioorg Med Chem 23: 4839-45 (2015)


Article DOI: 10.1016/j.bmc.2015.05.045
BindingDB Entry DOI: 10.7270/Q2M90BF8
More data for this
Ligand-Target Pair