Reaction Details Report a problem with these data
Target
Lysosomal acid lipase/cholesteryl ester hydrolase
Ligand
BDBM50287471
Substrate
n/a
Meas. Tech.
ChEBML_154781
IC50
10000±n/a nM
Citation
 David, B; Schuber, F Synthesis of α-difluoro and α-difluoro-β-trifluoroketo-derivatives as potential inhibitors for Cholesterol Ester Hydrolase Bioorg Med Chem Lett 6:1673-1676 (1996)    Article 
Target
Name:
Lysosomal acid lipase/cholesteryl ester hydrolase
Synonyms:
LICH_HUMAN | LIPA
Type:
PROTEIN
Mol. Mass.:
45422.01
Organism:
Homo sapiens (Human)
Description:
ChEMBL_633497
Residue:
399
Sequence:
MKMRFLGLVVCLVLWTLHSEGSGGKLTAVDPETNMNVSEIISYWGFPSEEYLVETEDGYILCLNRIPHGRKNHSDKGPKPVVFLQHGLLADSSNWVTNLANSSLGFILADAGFDVWMGNSRGNTWSRKHKTLSVSQDEFWAFSYDEMAKYDLPASINFILNKTGQEQVYYVGHSQGTTIGFIAFSQIPELAKRIKMFFALGPVASVAFCTSPMAKLGRLPDHLIKDLFGDKEFLPQSAFLKWLGTHVCTHVILKELCGNLCFLLCGFNERNLNMSRVDVYTTHSPAGTSVQNMLHWSQAVKFQKFQAFDWGSSAKNYFHYNQSYPPTYNVKDMLVPTAVWSGGHDWLADVYDVNILLTQITNLVFHESIPEWEHLDFIWGLDAPWRLYNKIINLMRKYQ
  
Inhibitor
Name:
BDBM50287471
Synonyms:
1-(4-tert-Butyl-cyclohexyl)-3,3,4,4,4-pentafluoro-butan-2-one | CHEMBL296516
Type:
Small organic molecule
Emp. Form.:
C14H21F5O
Mol. Mass.:
300.308
SMILES:
CC(C)(C)[C@H]1CC[C@H](CC(=O)C(F)(F)C(F)(F)F)CC1 |wU:7.7,wD:4.3,(5.46,-3.34,;5.46,-4.89,;5.85,-6.38,;6.79,-5.67,;4.12,-5.66,;2.79,-4.88,;1.47,-5.66,;1.47,-7.2,;.13,-7.97,;-1.21,-7.2,;-1.21,-5.66,;-2.54,-7.97,;-3.87,-7.2,;-2.94,-6.48,;-2.54,-9.52,;-3.87,-10.28,;-1.2,-10.28,;-4.03,-9.12,;2.79,-7.97,;4.12,-7.2,)|
Structure:
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