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  19 IC50

PDB links: 26 PDB IDs match this monomer.

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 25 hits for monomerid = 50182801   

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

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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(Homo sapiens (Human))
Alectos Therapeutics Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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
TargetBeta-glucosidase(Agrobacterium tumefaciens)
Technische Universität Graz

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataKi:  7nMAssay Description:Inhibition of Agrobacterium sp. beta-glucosidaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
The National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase in presence of phosphateMore data for this Ligand-Target Pair
TargetTrehalose synthase/amylase TreS(Mycobacterium tuberculosis)
University of British Columbia

LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataKi:  1.40E+5nMAssay Description:The inhibition of TreS by a range of known alpha-glucosidase inhibitor was assayed.More data for this Ligand-Target Pair
TargetBeta-mannosidase(Bacteroides thetaiotaomicron)
The Medical School, Newcastle University

LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataKi:  9.00E+6nM ΔG°:  -2.90kcal/molepH: 5.6 T: 2°CAssay Description:Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.More data for this Ligand-Target Pair
TargetSucrase-isomaltase, intestinal(Rattus norvegicus (Rat))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 2.90E+5nMAssay Description:Inhibition of rat intestinal isomaltase assessed as production of p-nitrophenol at by spectrophotometryMore data for this Ligand-Target Pair
TargetSucrase-isomaltase, intestinal(Rattus norvegicus (Rat))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 5.31E+5nMAssay Description:Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at by spectrophotometryMore data for this Ligand-Target Pair
TargetNon-lysosomal glucosylceramidase(Homo sapiens (Human))
Universit£ d'Orl£ans & CNRS

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...More data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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
TargetBeta-galactosidase(Bos taurus (Bovine))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometryMore data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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 Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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 Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of human lysosomal beta-glucosidaseMore data for this Ligand-Target Pair
TargetGlycogen debranching enzyme(Oryctolagus cuniculus)
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 4.80E+5nMAssay Description:Inhibition of rabbit muscle amylo-1,6-glucosidaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, liver form(Homo sapiens (Human))
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 700nMAssay Description:Inhibition of liver glycogen phosphorylase AMore data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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
TargetBeta-galactosidase(Homo sapiens (Human))
Universit£ d'Orl£ans & CNRS

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...More data for this Ligand-Target Pair
TargetLactase/phlorizin hydrolase(Rattus norvegicus)
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 120nMAssay Description:Inhibition of rat intestinal lactase assessed as production of p-nitrophenol by spectrophotometryMore data for this Ligand-Target Pair
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Alectos Therapeutics Inc

US Patent
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 59nMAssay Description:Inhibition of GCase assessed as 4-methylumbelliferone release assay after 30 mins by fluorimetryMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
The National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 1.21E+3nMAssay Description:Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, liver form(Homo sapiens (Human))
Hokuriku University

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 670nMAssay Description:Inhibition of phosphorylated form of pig liver glycogen phosphorylaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
The National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 760nMAssay Description:Inhibition of phosphorylated form of rabbit muscle glycogen phosphorylaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, liver form(Rattus norvegicus)
The National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50182801((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Affinity DataIC50: 680nMAssay Description:Inhibition of phosphorylated form of rat liver glycogen phosphorylaseMore 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...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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