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Target
Endothelial lipase
Ligand
BDBM254872
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±n/a
IC50
6570.00±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:
BDBM254872
Synonyms:
US9493412, 210
Type:
Small organic molecule
Emp. Form.:
C26H31N3O3
Mol. Mass.:
433.5426
SMILES:
CN(CCN1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O)c1ccccc1 |r,wD:10.9,13.16,t:23,(7.49,.85,;6.35,1.88,;4.88,1.4,;3.74,2.43,;2.27,1.96,;1.8,.49,;.26,.49,;-.65,-.75,;-.02,-2.16,;-2.18,-.59,;-3.09,-1.84,;-4.62,-1.68,;-5.52,-2.92,;-4.9,-4.33,;-3.36,-4.49,;-2.46,-3.25,;-5.8,-5.58,;-5.17,-6.98,;-6.08,-8.23,;-7.61,-8.07,;-8.24,-6.66,;-7.33,-5.42,;-.22,1.96,;-1.68,2.43,;1.03,2.86,;1.03,4.4,;6.67,3.38,;5.52,4.41,;5.84,5.92,;7.31,6.4,;8.45,5.37,;8.13,3.86,)|
Structure:
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