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PubMed code 24900537

Compile data set for download or QSAR
Found 9 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))
BDBM50393040
PNG
(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393040
PNG
(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 assessed as production of PGE2 by cell based assay


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393042
PNG
(CHEMBL2152712)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393040
PNG
(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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n/an/a 607n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human whole blood


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393042
PNG
(CHEMBL2152712)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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PubMed
n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human whole blood


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393041
PNG
(CHEMBL2152711)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C15H17ClN4O2/c1-9(2)13(21)19-8-10-3-4-12(16)11(7-10)14(22)20-15-17-5-6-18-15/h3-7,9H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22)
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n/an/a 792n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human whole blood


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393042
PNG
(CHEMBL2152712)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
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PubMed
n/an/a 870n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 assessed as production of PGE2 by cell based assay


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393041
PNG
(CHEMBL2152711)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C15H17ClN4O2/c1-9(2)13(21)19-8-10-3-4-12(16)11(7-10)14(22)20-15-17-5-6-18-15/h3-7,9H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22)
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n/an/a 890n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50393041
PNG
(CHEMBL2152711)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C15H17ClN4O2/c1-9(2)13(21)19-8-10-3-4-12(16)11(7-10)14(22)20-15-17-5-6-18-15/h3-7,9H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22)
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n/an/a 2.77E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 assessed as production of PGE2 by cell based assay


ACS Med Chem Lett 3: 703-704 (2012)


Article DOI: 10.1021/ml300201e
BindingDB Entry DOI: 10.7270/Q21837MS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%