Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50574643
Substrate
n/a
Meas. Tech.
ChEMBL_2122937 (CHEMBL4832170)
IC50
96±n/a nM
Citation
 Bononi, G; Tonarini, G; Poli, G; Barravecchia, I; Caligiuri, I; Macchia, M; Rizzolio, F; Demontis, GC; Minutolo, F; Granchi, C; Tuccinardi, T Monoacylglycerol lipase (MAGL) inhibitors based on a diphenylsulfide-benzoylpiperidine scaffold. Eur J Med Chem 223:0 (2021) [PubMed]  Article 
Target
Name:
Monoglyceride lipase
Synonyms:
HU-K5 | Lysophospholipase homolog | Lysophospholipase-like | MAGL | MGL | MGLL | MGLL_HUMAN
Type:
Hydrolase
Mol. Mass.:
33264.56
Organism:
Homo sapiens (Human)
Description:
Human recombinant MGL (Cayman Chemical, cat# 10008354).
Residue:
303
Sequence:
MPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWKPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNLVLPNLSLGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
  
Inhibitor
Name:
BDBM50574643
Synonyms:
CHEMBL4853706
Type:
Small organic molecule
Emp. Form.:
C25H23NO4S
Mol. Mass.:
433.519
SMILES:
Oc1ccc(Sc2ccc(cc2)C(=O)C2CCN(CC2)C(=O)c2cccc(O)c2)cc1
Structure:
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