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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50142260   
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))
BDBM50142260
PNG
(CHEMBL3760032)
Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r|
Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1
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Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50142260
PNG
(CHEMBL3760032)
Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r|
Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1
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Article
PubMed
n/an/a 8.86E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50142260
PNG
(CHEMBL3760032)
Show SMILES CC[C@H](C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc1ncc[nH]1 |r|
Show InChI InChI=1S/C17H20F2N4O2/c1-3-10(2)15(24)22-9-11-4-5-12(14(18)19)13(8-11)16(25)23-17-20-6-7-21-17/h4-8,10,14H,3,9H2,1-2H3,(H,22,24)(H2,20,21,23,25)/t10-/m0/s1
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Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis


J Med Chem 59: 194-205 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01249
BindingDB Entry DOI: 10.7270/Q2474CQR
More data for this
Ligand-Target Pair