Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50040354 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 | 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)) | BDBM50393042
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 240 | 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 | 3D Structure (crystal) |
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)) | BDBM50393042
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 740 | 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 | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50393041
(CHEMBL2152711)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 792 | 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)) | BDBM50393042
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 870 | 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 | 3D Structure (crystal) |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50393041
(CHEMBL2152711)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 890 | 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)) | BDBM50393041
(CHEMBL2152711)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.77E+3 | 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 | |