BDBM36547 N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-methoxyphenyl)methyl]amino}heptyl)piperidin-3-yl]acetamide, 3

SMILES COc1ccc(CNCCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)cc1

InChI Key InChIKey=AJNRULZAINFHHV-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 36547   

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

LigandPNGBDBM36547(N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-metho...)
Affinity DataKi:  1.20nM ΔG°:  -12.4kcal/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
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Academia Sinica

LigandPNGBDBM36547(N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-metho...)
Affinity DataKi:  1.02E+5nM ΔG°:  -5.54kcal/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