Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50426960' 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)) | BDBM50426960
(CHEMBL2325072)Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CC1)C(C)(C)O |r,wU:20.22,23.29,(3.97,-46.23,;5.31,-45.46,;6.64,-46.23,;7.97,-45.46,;9.45,-45.94,;10.36,-44.69,;9.45,-43.43,;7.97,-43.91,;6.64,-43.15,;5.31,-43.92,;3.98,-43.15,;11.9,-44.69,;12.66,-46.03,;14.19,-46.03,;14.97,-44.7,;14.2,-43.37,;12.66,-43.36,;16.51,-44.71,;17.28,-43.38,;17.27,-46.04,;18.81,-46.05,;19.58,-44.73,;21.13,-44.74,;21.89,-46.08,;21.11,-47.41,;19.57,-47.4,;23.43,-46.09,;24.21,-44.77,;24.97,-46.09,;24.19,-47.43,)| Show InChI InChI=1S/C23H32ClN3O3/c1-14-12-20-19(13-18(14)24)26-22(30-20)27-10-8-15(9-11-27)21(28)25-17-6-4-16(5-7-17)23(2,3)29/h12-13,15-17,29H,4-11H2,1-3H3,(H,25,28)/t16-,17+ | 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 | 34 | 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)) | BDBM50426960
(CHEMBL2325072)Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CC1)C(C)(C)O |r,wU:20.22,23.29,(3.97,-46.23,;5.31,-45.46,;6.64,-46.23,;7.97,-45.46,;9.45,-45.94,;10.36,-44.69,;9.45,-43.43,;7.97,-43.91,;6.64,-43.15,;5.31,-43.92,;3.98,-43.15,;11.9,-44.69,;12.66,-46.03,;14.19,-46.03,;14.97,-44.7,;14.2,-43.37,;12.66,-43.36,;16.51,-44.71,;17.28,-43.38,;17.27,-46.04,;18.81,-46.05,;19.58,-44.73,;21.13,-44.74,;21.89,-46.08,;21.11,-47.41,;19.57,-47.4,;23.43,-46.09,;24.21,-44.77,;24.97,-46.09,;24.19,-47.43,)| Show InChI InChI=1S/C23H32ClN3O3/c1-14-12-20-19(13-18(14)24)26-22(30-20)27-10-8-15(9-11-27)21(28)25-17-6-4-16(5-7-17)23(2,3)29/h12-13,15-17,29H,4-11H2,1-3H3,(H,25,28)/t16-,17+ | 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 | 570 | 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 | |