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Target
Prostaglandin E synthase
Ligand
BDBM50460543
Substrate
n/a
Meas. Tech.
ChEMBL_1769747 (CHEMBL4221859)
IC50
5.4±n/a nM
Citation
 Muthukaman, N; Deshmukh, S; Tambe, M; Pisal, D; Tondlekar, S; Shaikh, M; Sarode, N; Kattige, VG; Sawant, P; Pisat, M; Karande, V; Honnegowda, S; Kulkarni, A; Behera, D; Jadhav, SB; Sangana, RR; Gudi, GS; Khairatkar-Joshi, N; Gharat, LA Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett 28:1211-1218 (2018) [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:
BDBM50460543
Synonyms:
CHEMBL4226526
Type:
Small organic molecule
Emp. Form.:
C26H21ClF4N4O2
Mol. Mass.:
532.917
SMILES:
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1
Structure:
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