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Target
Prostaglandin E synthase
Ligand
BDBM50207345
Substrate
n/a
Meas. Tech.
ChEMBL_1630871 (CHEMBL3873577)
IC50
4.2±n/a nM
Citation
 Muthukaman, N; Deshmukh, S; Sarode, N; Tondlekar, S; Tambe, M; Pisal, D; Shaikh, M; Kattige, VG; Honnegowda, S; Karande, V; Kulkarni, A; Jadhav, SB; Mahat, MYA; Gudi, GS; Khairatkar-Joshi, N; Gharat, LA Discovery of 2-((2-chloro-6-fluorophenyl)amino)-N-(3-fluoro-5-(trifluoromethyl)phenyl)-1-methyl-7,8-dihydro-1H-[1,4]dioxino[2',3':3,4]benzo[1,2-d]imidazole-5-carboxamide as potent, selective and efficacious microsomal prostaglandin E Bioorg Med Chem Lett 26:5977-5984 (2016) [PubMed]  Article 
Target
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:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM50207345
Synonyms:
CHEMBL3944077
Type:
Small organic molecule
Emp. Form.:
C28H21ClF2N4O3
Mol. Mass.:
534.941
SMILES:
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c12
Structure:
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