BDBM50099009 (3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidine-3,4-diol::BDBM50204612::CHEMBL3350086

SMILES C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)N

InChI Key InChIKey=NJOZFAFEQVQFJI-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 2 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50099009   

TargetAlpha-galactosidase A(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50099009(CHEMBL3350086 | BDBM50204612 | (3S,4S,5R)-2-Aminom...)
Affinity DataIC50: 53nMpH: 7.0Assay Description:Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-galactosidase A(Human)
National Cheng Kung University

Curated by ChEMBL
LigandPNGBDBM50099009(CHEMBL3350086 | BDBM50204612 | (3S,4S,5R)-2-Aminom...)
Affinity DataIC50: 670nMpH: 4.6Assay Description:Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysosomal acid glucosylceramidase(Human)
Technische UniversitäT Graz

Curated by ChEMBL
LigandPNGBDBM50099009(CHEMBL3350086 | BDBM50204612 | (3S,4S,5R)-2-Aminom...)
Affinity DataKi:  25nMAssay Description:Tested for inhibitory activity against Beta-glucosidase from Agrobacterium speciesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetLysosomal acid glucosylceramidase(Human)
Technische UniversitäT Graz

Curated by ChEMBL
LigandPNGBDBM50099009(CHEMBL3350086 | BDBM50204612 | (3S,4S,5R)-2-Aminom...)
Affinity DataKi:  25nMAssay Description:Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed