Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM37982
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Profiling (Human)
Temperature
298.15±n/a K
IC50
5500±n/a nM
Comments
extracted
Citation
 Grice, CA; Buzard, DJ; Shaghafi, MB MAGL inhibitors US Patent  US10093635 Publication Date 10/9/2018 
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:
BDBM37982
Synonyms:
4-(2-Fluoro-6-((4-(((1,1,1,3,3,3- hexafluoropropan-2- yl)oxy)carbonyl)piperazin-1-yl)methyl)-3- methylphenyl)-2,2-dimethylbut-3-ynoic acid | US10093635, Example 24
Type:
Small organic molecule
Emp. Form.:
C22H23F7N2O4
Mol. Mass.:
512.4178
SMILES:
Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(C#CC(C)(C)C(O)=O)c1F
Structure:
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