BDBM50426955 CHEMBL2325077
SMILES: CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F
InChI Key: InChIKey=ZUGHCNHZYKGZLL-GJZGRUSLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50426955 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)) | BDBM50426955
(CHEMBL2325077)Show SMILES CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF4N3O2/c1-22(2,25)14-4-3-5-15(10-14)29-20(32)13-6-8-31(9-7-13)21-30-18-12-17(24)16(23(26,27)28)11-19(18)33-21/h11-15H,3-10H2,1-2H3,(H,29,32)/t14-,15-/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 | 16 | 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)) | BDBM50426955
(CHEMBL2325077)Show SMILES CC(C)(F)[C@H]1CCC[C@@H](C1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)c(cc2o1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF4N3O2/c1-22(2,25)14-4-3-5-15(10-14)29-20(32)13-6-8-31(9-7-13)21-30-18-12-17(24)16(23(26,27)28)11-19(18)33-21/h11-15H,3-10H2,1-2H3,(H,29,32)/t14-,15-/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 | 180 | 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 | |
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