BDBM50426954 CHEMBL2325078
SMILES: CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F
InChI Key: InChIKey=FMAGATUTZLUUSE-KBPBESRZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50426954 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50426954
(CHEMBL2325078)Show SMILES CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O4S/c1-33(30,31)14-4-2-3-13(9-14)26-19(29)12-5-7-28(8-6-12)20-27-17-11-16(22)15(21(23,24)25)10-18(17)32-20/h10-14H,2-9H2,1H3,(H,26,29)/t13-,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 | 19 | 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)) | BDBM50426954
(CHEMBL2325078)Show SMILES CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C21H25ClF3N3O4S/c1-33(30,31)14-4-2-3-13(9-14)26-19(29)12-5-7-28(8-6-12)20-27-17-11-16(22)15(21(23,24)25)10-18(17)32-20/h10-14H,2-9H2,1H3,(H,26,29)/t13-,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 | 250 | 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 | |