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Target
Prostaglandin E synthase
Ligand
BDBM50194137
Substrate
n/a
Meas. Tech.
ChEMBL_1616436 (CHEMBL3858505)
IC50
23±n/a nM
Citation
 Kuklish, SL; Antonysamy, S; Bhattachar, SN; Chandrasekhar, S; Fisher, MJ; Fretland, AJ; Gooding, K; Harvey, A; Hughes, NE; Luz, JG; Manninen, PR; McGee, JE; Navarro, A; Norman, BH; Partridge, KM; Quimby, SJ; Schiffler, MA; Sloan, AV; Warshawsky, AM; York, JS; Yu, XP Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors. Bioorg Med Chem Lett 26:4824-4828 (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:
BDBM50194137
Synonyms:
CHEMBL3922684
Type:
Small organic molecule
Emp. Form.:
C24H32ClN3O2
Mol. Mass.:
429.983
SMILES:
CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1 |r,wU:7.8,11.11,14.15,(.86,-13.35,;2.35,-12.95,;1.26,-11.86,;2.35,-14.49,;3.68,-15.25,;5,-14.49,;5,-12.95,;3.68,-12.17,;3.68,-10.63,;5.01,-9.87,;2.34,-9.87,;2.34,-8.33,;3.68,-7.55,;3.69,-6.02,;2.36,-5.24,;2.36,-3.7,;1.03,-2.93,;1.02,-6.01,;1.02,-7.55,;3.68,-16.79,;2.34,-17.56,;2.34,-19.1,;3.67,-19.87,;3.68,-21.41,;5.02,-22.18,;6.36,-21.39,;6.35,-19.85,;7.67,-19.07,;5.01,-19.09,;5,-17.55,)|
Structure:
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