Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50430931
Substrate
n/a
Meas. Tech.
ChEMBL_945919 (CHEMBL2340533)
IC50
1800±n/a nM
Citation
 He, S; Li, C; Liu, Y; Lai, L Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen. J Med Chem 56:3296-309 (2013) [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:
BDBM50430931
Synonyms:
CHEMBL2336947
Type:
Small organic molecule
Emp. Form.:
C18H15N5O6S
Mol. Mass.:
429.407
SMILES:
Cc1nc2sc3CCCCc3c2c(=O)n1\N=C\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: