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PubMed code 25699159

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))
BDBM50061980
PNG
(CHEMBL3394323)
Show SMILES CC1=C(C(NC(=O)N1CCC(O)=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1 |t:1|
Show InChI InChI=1S/C27H23F3N2O6/c1-16-23(25(35)37-15-17-6-3-2-4-7-17)24(31-26(36)32(16)13-12-22(33)34)21-11-10-20(38-21)18-8-5-9-19(14-18)27(28,29)30/h2-11,14,24H,12-13,15H2,1H3,(H,31,36)(H,33,34)
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Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1beta-stimulated human A549 cells microsomal membranes assessed as reduction in PGE2 formation incubated for 15 ...


ACS Med Chem Lett 6: 187-91 (2015)


Article DOI: 10.1021/ml500433j
BindingDB Entry DOI: 10.7270/Q2474CJH
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50061981
PNG
(CHEMBL3394322)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1 |t:1|
Show InChI InChI=1S/C24H19F3N2O4/c1-14-20(22(30)32-13-15-6-3-2-4-7-15)21(29-23(31)28-14)19-11-10-18(33-19)16-8-5-9-17(12-16)24(25,26)27/h2-12,21H,13H2,1H3,(H2,28,29,31)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1beta-stimulated human A549 cells microsomal membranes assessed as reduction in PGE2 formation incubated for 15 ...


ACS Med Chem Lett 6: 187-91 (2015)


Article DOI: 10.1021/ml500433j
BindingDB Entry DOI: 10.7270/Q2474CJH
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50061989
PNG
(CHEMBL3394321)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)c1cc(Br)ccc1O |t:1|
Show InChI InChI=1S/C23H16BrF3N2O4/c1-11-19(21(31)15-10-14(24)5-6-16(15)30)20(29-22(32)28-11)18-8-7-17(33-18)12-3-2-4-13(9-12)23(25,26)27/h2-10,20,30H,1H3,(H2,28,29,32)
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in interleukin-1beta-stimulated human A549 cells microsomal membranes assessed as reduction in PGE2 formation incubated for 15 ...


ACS Med Chem Lett 6: 187-91 (2015)


Article DOI: 10.1021/ml500433j
BindingDB Entry DOI: 10.7270/Q2474CJH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%