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PubMed code 27688183

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))
BDBM50259027
PNG
(CHEMBL4101548)
Show SMILES O=C(Oc1ccc-2c(c1)C(=O)c1nc3nonc3nc-21)c1ccccc1
Show InChI InChI=1S/C18H8N4O4/c23-15-12-8-10(25-18(24)9-4-2-1-3-5-9)6-7-11(12)13-14(15)20-17-16(19-13)21-26-22-17/h1-8H
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomes isolated from IL-1beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by s...


Eur J Med Chem 125: 278-287 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.042
BindingDB Entry DOI: 10.7270/Q2WM1GV8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50259028
PNG
(CHEMBL4091339)
Show SMILES O=C(Oc1ccc2C(=O)c3nc4nonc4nc3-c2c1)c1ccccc1
Show InChI InChI=1S/C18H8N4O4/c23-15-11-7-6-10(25-18(24)9-4-2-1-3-5-9)8-12(11)13-14(15)20-17-16(19-13)21-26-22-17/h1-8H
PDB
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomes isolated from IL-1beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by s...


Eur J Med Chem 125: 278-287 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.042
BindingDB Entry DOI: 10.7270/Q2WM1GV8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50259026
PNG
(CHEMBL4074135)
Show SMILES O=C(Oc1cccc2-c3nc4nonc4nc3C(=O)c12)c1ccccc1
Show InChI InChI=1S/C18H8N4O4/c23-15-12-10(13-14(15)20-17-16(19-13)21-26-22-17)7-4-8-11(12)25-18(24)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomes isolated from IL-1beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by s...


Eur J Med Chem 125: 278-287 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.042
BindingDB Entry DOI: 10.7270/Q2WM1GV8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%