BDBM50182804 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN::CHEMBL382689::Iminocyclitol, 5::N-((3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl)acetamide::N-[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 1

SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O

InChI Key InChIKey=GBRAQQUMMCVTAV-LXGUWJNJSA-N

Data  4 KI

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50182804   

TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
Academia Sinica

LigandPNGBDBM50182804(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Affinity DataKi:  540nM ΔG°:  -8.69kcal/molepH: 4.25 T: 2°CAssay Description:Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
Academia Sinica

LigandPNGBDBM50182804(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Affinity DataKi:  1.20E+3nMAssay Description:Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Academia Sinica

LigandPNGBDBM50182804(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Affinity DataKi:  2.36E+4nM ΔG°:  -6.41kcal/molepH: 4.25 T: 2°CAssay Description:Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-N-acetylhexosaminidase(Streptomyces coelicolor)
Technische UniversitäT Graz

Curated by ChEMBL
LigandPNGBDBM50182804(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Affinity DataKi:  8.00E+4nMAssay Description:Inhibition of Streptomyces plicatus beta-D-hexosaminidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed