Reaction Details Report a problem with these data
Target
Endothelial lipase
Ligand
BDBM254867
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±n/a
IC50
4724.00±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:
BDBM254867
Synonyms:
US9493412, 172
Type:
Small organic molecule
Emp. Form.:
C25H28N2O5S
Mol. Mass.:
468.565
SMILES:
OC1=C(CN(CCS(=O)(=O)c2ccccc2)C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:21.22,24.29,t:1,(2.52,3.96,;2.52,2.42,;1.27,1.51,;1.75,.05,;3.29,.05,;4.06,-1.29,;5.6,-1.29,;6.37,-2.62,;7.14,-3.96,;5.03,-3.39,;7.7,-1.85,;9.19,-2.25,;10.28,-1.16,;9.88,.33,;8.39,.72,;7.3,-.36,;3.76,1.51,;5.25,1.91,;-.27,1.51,;-1.04,2.84,;-1.04,.18,;-2.58,.18,;-3.35,-1.16,;-4.89,-1.16,;-5.66,.18,;-4.89,1.51,;-3.35,1.51,;-7.2,.18,;-7.97,1.51,;-9.51,1.51,;-10.28,.18,;-9.51,-1.16,;-7.97,-1.16,)|
Structure:
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