Reaction Details Report a problem with these data
Target
Endothelial lipase
Ligand
BDBM254866
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±n/a
IC50
7169.00±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:
BDBM254866
Synonyms:
US9493412, 169
Type:
Small organic molecule
Emp. Form.:
C21H23F5N2O3
Mol. Mass.:
446.4109
SMILES:
OC1=C(CN(CCC(F)(F)C(F)(F)F)C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wD:19.19,22.26,t:1,(-2.03,-1.48,;-.56,-1.95,;.68,-1.05,;1.93,-1.95,;1.45,-3.42,;2.36,-4.66,;1.73,-6.07,;2.64,-7.32,;1.39,-8.22,;3.88,-6.41,;3.54,-8.56,;4.45,-9.81,;2.3,-9.47,;4.79,-7.66,;-.09,-3.42,;-.99,-4.66,;.68,.49,;2.02,1.26,;-.65,1.26,;-.65,2.8,;.68,3.57,;.68,5.11,;-.65,5.88,;-1.98,5.11,;-1.98,3.57,;-.65,7.42,;-1.98,8.19,;-1.98,9.73,;-.65,10.5,;.68,9.73,;.68,8.19,)|
Structure:
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