BDBM50182801 (3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8::(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol::5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE::AFEGOSTAT TARTRATE::CHEMBL206468::D-Isofagomine::US10081601, Example 1.1::US9796680, Example Table2.1::isofagomine

SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O

InChI Key InChIKey=QPYJXFZUIJOGNX-HSUXUTPPSA-N

Data  6 KI  22 IC50  2 EC50

PDB links: 26 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50182801   

TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataKi:  1.70nMAssay Description:Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataKi:  1.70nMpH: 7.0Assay Description:Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Bos taurus)
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  3.10E+4nMAssay Description:Inhibition of bovine liver beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrate ...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  63nMAssay Description:Inhibition of human lysosome beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrat...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  410nMAssay Description:Inhibition of GCase in patient derived fibroblast cells using 5'pentafluorobenzoylaminofluorescein-di-beta-D-glucoside as substrate assessed as subst...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  30nMAssay Description:Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  8.20nMpH: 7.0Assay Description:Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  60nMAssay Description:Inhibition of human lysosomal beta-glucosidaseMore data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  8.20nMAssay Description:Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human GCase assessed as reduction of 4-methylumbelliferone liberation using 4-methylumbelliferyl-beta-glucopyranoside as substrate prei...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataEC50:  300nMAssay Description:Chaperone activity at GCase N370S GBA mutant in patient derived fibroblast cell using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate assess...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataEC50:  390nMAssay Description:Chaperone activity at GCase N370S GBA mutant in patient derived fibroblast cell assessed as GCase level incubated for 5 days by immunocytochemistry a...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  230nMAssay Description:Inhibition of recombinant GCase (unknown origin) using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate at pH 4.5More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Affinity DataIC50:  59nMAssay Description:Inhibition of GCase assessed as 4-methylumbelliferone release assay after 30 mins by fluorimetryMore data for this Ligand-Target Pair