Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50135230
Substrate
n/a
Meas. Tech.
ChEMBL_1544122 (CHEMBL3750741)
IC50
>10000±n/a nM
Citation
 Kim, M; Lee, S; Park, EB; Kim, KJ; Lee, HH; Shin, JS; Fischer, K; Koeberle, A; Werz, O; Lee, KT; Lee, JY Hit-to-lead optimization of phenylsulfonyl hydrazides for a potent suppressor of PGE2 production: Synthesis, biological activity, and molecular docking study. Bioorg Med Chem Lett 26:94-9 (2015) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
Prostaglandin E2 synthase-1 ( mPGES-1) | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | PTGES_HUMAN | PTGES | MGST1L1 | MPGES1 | PGES | PIG12 | Prostaglandin E synthase/G/H synthase 2
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Human
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM50135230
Synonyms:
CHEMBL3747438
Type:
Small organic molecule
Emp. Form.:
C30H30N2O5S
Mol. Mass.:
530.19
SMILES:
CC(C)(C)c1ccc(cc1)S(=O)(=O)N(Nc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Structure:
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