Reaction Details Report a problem with these data
Target
Endothelial lipase
Ligand
BDBM254871
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±n/a
IC50
8254.00±n/a nM
Comments
extracted
Citation
 Qiao, JX; Finlay, H; Jiang, J; Lloyd, J; Hu, CH; Pi, Z; Tora, GO; Neels, J; Hangeland, JJ; Friends, TJ Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors US Patent  US9493412 Publication Date 11/15/2016 
Target
Name:
Endothelial lipase
Synonyms:
EDL | EL | Endothelial cell-derived lipase | LIPE_HUMAN | LIPG
Type:
Protein
Mol. Mass.:
56805.62
Organism:
Homo sapiens (Human)
Description:
Q9Y5X9
Residue:
500
Sequence:
MSNSVPLLCFWSLCYCFAAGSPVPFGPEGRLEDKLHKPKATQTEVKPSVRFNLRTSKDPEHEGCYLSVGHSQPLEDCSFNMTAKTFFIIHGWTMSGIFENWLHKLVSALHTREKDANVVVVDWLPLAHQLYTDAVNNTRVVGHSIARMLDWLQEKDDFSLGNVHLIGYSLGAHVAGYAGNFVKGTVGRITGLDPAGPMFEGADIHKRLSPDDADFVDVLHTYTRSFGLSIGIQMPVGHIDIYPNGGDFQPGCGLNDVLGSIAYGTITEVVKCEHERAVHLFVDSLVNQDKPSFAFQCTDSNRFKKGICLSCRKNRCNSIGYNAKKMRNKRNSKMYLKTRAGMPFRVYHYQMKIHVFSYKNMGEIEPTFYVTLYGTNADSQTLPLEIVERIEQNATNTFLVYTEEDLGDLLKIQLTWEGASQSWYNLWKEFRSYLSQPRNPGRELNIRRIRVKSGETQRKLTFCTEDPENTSISPGRELWFRKCRDGWRMKNETSPTVELP
  
Inhibitor
Name:
BDBM254871
Synonyms:
US9493412, 196
Type:
Small organic molecule
Emp. Form.:
C22H27N3O4
Mol. Mass.:
397.4675
SMILES:
CN1CC(CC1=O)N1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O |r,wU:13.13,16.20,t:27,(9.48,.17,;8.14,-.6,;6.68,-.12,;5.78,-1.37,;6.68,-2.61,;8.14,-2.14,;9.48,-2.91,;4.44,-.6,;2.98,-1.07,;2.07,.17,;.53,.17,;-.24,1.51,;-.24,-1.16,;-1.78,-1.16,;-2.55,-2.49,;-4.09,-2.49,;-4.86,-1.16,;-4.09,.17,;-2.55,.17,;-6.4,-1.16,;-7.17,.17,;-8.71,.17,;-9.48,-1.16,;-8.71,-2.49,;-7.17,-2.49,;2.98,1.42,;2.58,2.91,;4.44,.94,;5.78,1.71,)|
Structure:
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