Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50426957' 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)) | BDBM50426957
(CHEMBL2325075)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426957
(CHEMBL2325075)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1 | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human mPGES1 by ELISA |
Bioorg Med Chem Lett 23: 1120-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426957
(CHEMBL2325075)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1 | 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 | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA |
Bioorg Med Chem Lett 23: 1120-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS |
More data for this Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426957
(CHEMBL2325075)Show SMILES OC[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O3/c22-16-10-17-18(9-15(16)21(23,24)25)31-20(27-17)28-6-4-13(5-7-28)19(30)26-14-3-1-2-12(8-14)11-29/h9-10,12-14,29H,1-8,11H2,(H,26,30)/t12-,14-/m0/s1 | 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 | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA |
Bioorg Med Chem Lett 23: 1114-9 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.109 BindingDB Entry DOI: 10.7270/Q2FQ9Z0W |
More data for this Ligand-Target Pair | |