Reaction Details Report a problem with these data
Target
Bile salt-activated lipase
Ligand
BDBM50286880
Substrate
n/a
Meas. Tech.
ChEBML_154779
Ki
20000±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:
BDBM50286880
Synonyms:
Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthalenyl-2-yl ester | CHEMBL139598
Type:
Small organic molecule
Emp. Form.:
C29H29NO4
Mol. Mass.:
455.5449
SMILES:
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)|
Structure:
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