BDBM50163440 (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol::(2R,3S,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol::1-deoxygalactonojirimycin::CHEMBL110458::D-galacto-1-Deoxynojirimycin::DGJ

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

InChI Key InChIKey=LXBIFEVIBLOUGU-DPYQTVNSSA-N

Data  6 KI  17 IC50

PDB links: 11 PDB IDs match this monomer.

  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 23 hits for monomerid = 50163440   

TargetAlpha-galactosidase(Coffea arabica (Coffee beans))
Technische Universit£T Graz

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  13nMAssay Description:Inhibition of alpha-galactosidase green coffee beansMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-galactosidase(Rhizobium meliloti)
Technische UniversitäT Graz

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  1.25E+4nMAssay Description:Inhibition of Agrobacterium sp. beta-galactosidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-galactosidase [24-677,I51T](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  4.47E+4nM ΔG°:  -6.17kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
TargetBeta-galactosidase [24-677,R201C](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  4.90E+4nM ΔG°:  -6.11kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
TargetBeta-galactosidase [24-677](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  6.18E+4nM ΔG°:  -5.97kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataKi:  3.40E+7nMAssay Description:Inhibition constant against Alpha-FucosidaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetMaltase-glucoamylase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of maltase by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-galactosidase A(Homo sapiens (Human))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  42nMAssay Description:Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 4.6 after 15 mins by fluorescence...More data for this Ligand-Target Pair
TargetAlpha-galactosidase(Coffea arabica (Coffee beans))
Technische Universit£T Graz

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  3nMpH: 6.5Assay Description:Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-galactosidase A(Homo sapiens (Human))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human lysosome alpha-galactosidase assessed as p-nitrophenol release by spectrometric analysisMore data for this Ligand-Target Pair
TargetLactase/phlorizin hydrolase(Rattus norvegicus)
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  7.20E+4nMAssay Description:Inhibition of rat intestinal lactase assessed as p-nitrophenol release by spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-galactosidase A(Homo sapiens (Human))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  70nMAssay Description:Inhibitory concentration against human alpha-galactosidaseMore data for this Ligand-Target Pair
TargetAlpha-galactosidase C(Aspergillus niger)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibitory concentration against alpha-galactosidase of Aspergillus nigerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-galactosidase(Homo sapiens (Human))
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibitory concentration against human beta-galactosidaseMore data for this Ligand-Target Pair
TargetBeta-galactosidase(Rattus norvegicus)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibitory concentration against beta-galactosidase of ratMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-galactosidase A(Homo sapiens (Human))
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  13nMAssay Description:Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence a...More data for this Ligand-Target Pair
TargetGlycogen debranching enzyme(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of glycogen glycogen de-branching enzyme by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysosomal alpha-glucosidase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of lysosomal alpha-glucosidase by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-lysosomal glucosylceramidase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of GBA2 by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLactase/phlorizin hydrolase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of lactase by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCeramide glucosyltransferase(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of GCS by cell-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSucrase-isomaltase, intestinal(Homo sapiens (Human))
Leiden University

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  260nMAssay Description:Inhibition of sucrase by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-glucosidase A(Caldocellum saccharolyticum)
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50163440((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Affinity DataIC50:  3.67E+5nMpH: 5.0Assay Description:Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed