BDBM36549 N-{7-[5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)piperidin-1-yl]heptyl}-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanamide, 6

SMILES CC(=O)NC1CN(CCCCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)C(CO)C(O)C1O

InChI Key InChIKey=GMYLPXXKKLQQSV-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 36549   

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

LigandPNGBDBM36549(N-{7-[5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)p...)
Affinity DataKi:  26.7nM ΔG°:  -10.5kcal/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

LigandPNGBDBM36549(N-{7-[5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)p...)
Affinity DataKi:  1.45E+5nM ΔG°:  -5.32kcal/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