Reaction Details Report a problem with these data
Target
Bile salt-activated lipase
Ligand
BDBM50244753
Substrate
n/a
Meas. Tech.
ChEMBL_512655 (CHEMBL969705)
IC50
>100000±n/a nM
Citation
 Eilfeld, A; González Tanarro, CM; Frizler, M; Sieler, J; Schulze, B; Gütschow, M Synthesis and elastase-inhibiting activity of 2-pyridinyl-isothiazol-3(2H)-one 1,1-dioxides. Bioorg Med Chem 16:8127-35 (2008) [PubMed]  Article 
Target
Name:
Bile salt-activated lipase
Synonyms:
BAL | CEL | CEL_HUMAN | Cholesterol esterase
Type:
PROTEIN
Mol. Mass.:
79308.99
Organism:
Homo sapiens (Human)
Description:
ChEMBL_512655
Residue:
753
Sequence:
MGRLQLVVLGLTCCWAVASAAKLGAVYTEGGFVEGVNKKLGLLGDSVDIFKGIPFAAPTKALENPQPHPGWQGTLKAKNFKKRCLQATITQDSTYGDEDCLYLNIWVPQGRKQVSRDLPVMIWIYGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLPGNYGLRDQHMAIAWVKRNIAAFGGDPNNITLFGESAGGASVSLQTLSPYNKGLIRRAISQSGVALSPWVIQKNPLFWAKKVAEKVGCPVGDAARMAQCLKVTDPRALTLAYKVPLAGLEYPMLHYVGFVPVIDGDFIPADPINLYANAADIDYIAGTNNMDGHIFASIDMPAINKGNKKVTEEDFYKLVSEFTITKGLRGAKTTFDVYTESWAQDPSQENKKKTVVDFETDVLFLVPTEIALAQHRANAKSAKTYAYLFSHPSRMPVYPKWVGADHADDIQYVFGKPFATPTGYRPQDRTVSKAMIAYWTNFAKTGDPNMGDSAVPTHWEPYTTENSGYLEITKKMGSSSMKRSLRTNFLRYWTLTYLALPTVTDQEATPVPPTGDSEATPVPPTGDSETAPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDSGAPPVPPTGDAGPPPVPPTGDSGAPPVPPTGDSGAPPVTPTGDSETAPVPPTGDSGAPPVPPTGDSEAAPVPPTDDSKEAQMPAVIRF
  
Inhibitor
Name:
BDBM50244753
Synonyms:
5-Methyl-4-phenyl-2-(2,3,5,6-tetrafluoropyridin-4-yl)-isothiazol-3(2H)-one 1,1-dioxide | CHEMBL461946
Type:
Small organic molecule
Emp. Form.:
C15H8F4N2O3S
Mol. Mass.:
372.294
SMILES:
CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c1ccccc1 |t:1|
Structure:
Search PDB for entries with ligand similarity: