Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin E synthase
LigandBDBM50337660
Substrate/Competitorn/a
Meas. Tech.ChEMBL_728757 (CHEMBL1686170)
IC50 3±n/a nM
Citation Chiasson, JFBoulet, LBrideau, CChau, AClaveau, DCôté, BEthier, DGiroux, AGuay, JGuiral, SMancini, JMassé, FMéthot, NRiendeau, DRoy, PRubin, JXu, DYu, HDucharme, YFriesen, RW Trisubstituted ureas as potent and selective mPGES-1 inhibitors. Bioorg Med Chem Lett21:1488-92 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin E synthase
Name:Prostaglandin E synthase
Synonyms:MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:Protein
Mol. Mass.:17112.22
Organism:Homo sapiens (Human)
Description:n/a
Residue:152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50337660
n/a
NameBDBM50337660
Synonyms:3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)-1-(3-((4-(trifluoromethyl)phenyl)ethynyl)benzyl)urea | CHEMBL1683216
TypeSmall organic molecule
Emp. Form.C34H28F3N3O
Mol. Mass.551.6008
SMILESCC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccc(cc1)C(F)(F)F)Cc1cccc(c1)C#Cc1cccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: