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PubMed code 24794772

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50017961
PNG
(CHEMBL3289346)
Show SMILES CCOC(=O)C1=C([C@@H](NC(=O)N1)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)c1ccc(OC)cc1 |r,t:5|
Show InChI InChI=1S/C26H21F3N2O6/c1-3-36-24(33)22-20(23(32)14-7-9-17(35-2)10-8-14)21(30-25(34)31-22)19-12-11-18(37-19)15-5-4-6-16(13-15)26(27,28)29/h4-13,21H,3H2,1-2H3,(H2,30,31,34)/t21-/m0/s1
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Article
PubMed
n/an/a 4.16E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cell microsomes assessed as reduction in PGE2 production using PGH2 as substrate tr...


Eur J Med Chem 80: 407-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.061
BindingDB Entry DOI: 10.7270/Q28S4RGX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50017962
PNG
(CHEMBL3289347)
Show SMILES CCOC(=O)C1=C([C@@H](NC(=O)N1C)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)c1ccc(OC)cc1 |r,t:5|
Show InChI InChI=1S/C27H23F3N2O6/c1-4-37-25(34)23-21(24(33)15-8-10-18(36-3)11-9-15)22(31-26(35)32(23)2)20-13-12-19(38-20)16-6-5-7-17(14-16)27(28,29)30/h5-14,22H,4H2,1-3H3,(H,31,35)/t22-/m0/s1
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Article
PubMed
n/an/a 7.56E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cell microsomes assessed as reduction in PGE2 production using PGH2 as substrate tr...


Eur J Med Chem 80: 407-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.061
BindingDB Entry DOI: 10.7270/Q28S4RGX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50017963
PNG
(CHEMBL3289348)
Show SMILES CCOC(=O)C1=C(C(NC(=S)N1)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)c1ccc(OC)cc1 |t:5|
Show InChI InChI=1S/C26H21F3N2O5S/c1-3-35-24(33)22-20(23(32)14-7-9-17(34-2)10-8-14)21(30-25(37)31-22)19-12-11-18(36-19)15-5-4-6-16(13-15)26(27,28)29/h4-13,21H,3H2,1-2H3,(H2,30,31,37)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cell microsomes assessed as reduction in PGE2 production using PGH2 as substrate tr...


Eur J Med Chem 80: 407-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.061
BindingDB Entry DOI: 10.7270/Q28S4RGX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%