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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 24567   

TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  48nMAssay Description:Inhibition of human ABHD6 containing pCMV6-AC-hABHD6 transfected into HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidylserine lipase ABHD12(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  190nMAssay Description:Inhibition of human ABHD12 containing pCMV6-XL4-hABHD12 transfected into HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  37nMAssay Description:Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoacylglycerol lipase ABHD6(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  13nMAssay Description:Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidylserine lipase ABHD12(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  190nMAssay Description:Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidylserine lipase ABHD12(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM24567((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Affinity DataIC50:  190nMAssay Description:Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed