BDBM24567 (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate::CHEMBL175247::Orlistat::THLP::Tetrahydrolipstatin::US9328123, Orlistat::Xenical

SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

InChI Key InChIKey=AHLBNYSZXLDEJQ-FWEHEUNISA-N

Data  5 KI  59 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 24567   

TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Seoul National University

LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataKi:  260nM ΔG°:  -9.34kcal/mole IC50:  1.24E+3nMpH: 7.4 T: 2°CAssay Description:Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid synthase(Homo sapiens (Human))
Wayne State University

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataKi:  280nMAssay Description:Antagonist activity at recombinant FASN thioesterase domain by fluorigenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCannabinoid receptor 1(Homo sapiens (Human))
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataKi:  2.50E+3nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Seoul National University

LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataKi:  9.80E+3nMAssay Description:Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Sapienza University Of Rome

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed