Found 7 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50393040' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using... |
Bioorg Med Chem 23: 4839-45 (2015)
Article DOI: 10.1016/j.bmc.2015.05.045 BindingDB Entry DOI: 10.7270/Q2M90BF8 |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 607 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50393040
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 607 | n/a | n/a | n/a | n/a | n/a | n/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 | |