Reaction Details Report a problem with these data
Target
Bile salt-activated lipase
Ligand
BDBM50286878
Substrate
n/a
Meas. Tech.
ChEMBL_154778 (CHEMBL761498)
Ki
800±n/a nM
Citation
 Lin, G; Liu, HC; Tsai, YC Atropisomeric carbamoyl type inhibitors of pancreatic cholesterol esterase Bioorg Med Chem Lett 6:43-46 (1996)    Article 
Target
Name:
Bile salt-activated lipase
Synonyms:
CEL | CEL_BOVIN | Cholesterol esterase
Type:
PROTEIN
Mol. Mass.:
65152.77
Organism:
Bos taurus
Description:
ChEMBL_154778
Residue:
597
Sequence:
LGASRLGPSPGCLAVASAAKLGSVYTEGGFVEGVNKKLSLFGDSIDIFKGIPFAAAPKALEKPERHPGWQGTLKAKSFKKRCLQATLTQDSTYGNEDCLYLNIWVPQGRKEVSHDLPVMIWIYGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDSNLPGNYGLWDQHMAIAWVKRNIEAFGGDPDNITLFGESAGGASVSLQTLSPYNKGLIKRAISQSGVGLCPWAIQQDPLFWAKRIAEKVGCPVDDTSKMAGCLKITDPRALTLAYKLPLGSTEYPKLHYLSFVPVIDGDFIPDDPVNLYANAADVDYIAGTNDMDGHLFVGMDVPAINSNKQDVTEEDFYKLVSGLTVTKGLRGANATYEVYTEPWAQDSSQETRKKTMVDLETDILFLIPTKIAVAQHKSHAKSANTYTYLFSQPSRMPIYPKWMGADHADDLQYVFGKPFATPLGYRAQDRTVSKAMIAYWTNFARTGDPNTGHSTVPANWDPYTLEDDNYLEINKQMDSNSMKLHLRTNYLQFWTQTYQALPTVTSAGASLLPPEDNSQASPVPPADNSGAPTEPSAGDSEVAQMPVVIGF
  
Inhibitor
Name:
BDBM50286878
Synonyms:
Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthalenyl-2-yl ester | CHEMBL140853
Type:
Small organic molecule
Emp. Form.:
C25H23NO3
Mol. Mass.:
385.455
SMILES:
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)|
Structure:
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