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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human)) | BDBM36547 (N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-metho...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20 | -12.4 | n/a | n/a | n/a | n/a | n/a | 4.25 | 30 |
Academia Sinica | Assay Description Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate. | ACS Chem Biol 5: 489-97 (2010) Article DOI: 10.1021/cb100011u BindingDB Entry DOI: 10.7270/Q2JQ0ZCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human)) | BDBM36547 (N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-metho...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.02E+5 | -5.54 | n/a | n/a | n/a | n/a | n/a | 4.25 | 30 |
Academia Sinica | Assay Description Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate. | ACS Chem Biol 5: 489-97 (2010) Article DOI: 10.1021/cb100011u BindingDB Entry DOI: 10.7270/Q2JQ0ZCB | |||||||||||
More data for this Ligand-Target Pair |