BDBM50065258 (2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol::(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol::CHEMBL314772::Fucosidase Inhibitor, 3

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

InChI Key InChIKey=VYOCYWDJTQRZLC-KCDKBNATSA-N

Data  10 KI  6 IC50  4 Kd  4 ITC

PDB links: 4 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 20 hits for monomerid = 50065258   

TargetTissue alpha-L-fucosidase(Bos taurus)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  1.70nMAssay Description:Ki value against bovine alpha-L-fucosidaseMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Bos taurus)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  3nMAssay Description:Inhibition of bovine kidney alpha-L-fucosidase by para-nitrophenolate release assayMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  6.20nMAssay Description:Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis; Competitive Inhibition typeMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  6.20nMAssay Description:Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidneyMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  6.20nMAssay Description:Tested for inhibitory activity against alpha-L-fucosidase from bovine epididymus (sigma)More data for this Ligand-Target Pair
TargetPlasma alpha-L-fucosidase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  9.80nMAssay Description:Tested for inhibitory activity against alpha-L-fucosidase from solubilised human neutrophilsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  10nMAssay Description:Inhibition of human liver alpha-L-fucosidaseMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  29nMAssay Description:Inhibition constant against Alpha-FucosidaseMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  31nMAssay Description:Binding affinity against alpha-L-fucosidase in bovine kidney was determinedMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKi:  80nMAssay Description:Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase methodMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Bos taurus)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  110nMAssay Description:Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometryMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Rattus norvegicus)
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  340nMAssay Description:Inhibition of rat epididymis alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  140nMAssay Description:Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha-L-fucopyranoside by spectrophotometryMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  410nMAssay Description:Inhibition of bovine kidney alpha-L-fucosidaseMore data for this Ligand-Target Pair
TargetTissue alpha-L-fucosidase(Bos taurus)
Toyama Medical And Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  5nMAssay Description:Inhibition of bovine alpha-L-fucosidaseMore data for this Ligand-Target Pair
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKd:  372nMpH: 8.5 T: 2°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKd:  55.1nMpH: 7.0 T: 2°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue alpha-L-fucosidase(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataIC50:  140nMAssay Description:Inhibition of placental alpha-L-fucosidase (unknown origin)More data for this Ligand-Target Pair
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKd:  14.8nMpH: 6.0 T: 2°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Affinity DataKd:  27nMpH: 6.5 T: 2°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 50065258   

CellAlpha-fucosidase(Bacteroides thetaiotaomicron)
University of York

SyringePNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
ITC DataΔG°: -10.7kcal/mole −TΔS°: 0.0530kcal/mole ΔH°: -10.2kcal/mole
pH: 6.0 T: -236.15°C 
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron)
University of York

SyringePNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
ITC DataΔG°: -10.0kcal/mole −TΔS°: -0.513kcal/mole ΔH°: -14.7kcal/mole
pH: 6.5 T: -236.15°C 
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron)
University of York

SyringePNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
ITC DataΔG°: -10.0kcal/mole −TΔS°: -0.680kcal/mole ΔH°: -15.6kcal/mole
pH: 6.5 T: -236.15°C 
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron)
University of York

SyringePNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
ITC DataΔG°: -8.84kcal/mole −TΔS°: -0.566kcal/mole ΔH°: -13.4kcal/mole
pH: 6.5 T: -236.15°C 
In DepthDetails ArticlePubMed