BDBM36546 N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 2

SMILES: CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O

InChI Key: InChIKey=QWZPVJYIJZQINK-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 36546   

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))	BDBM36546 (N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethy...) Show SMILES CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O Show InChI InChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-12.0	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))	BDBM36546 (N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethy...) Show SMILES CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O Show InChI InChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.08E+5	-5.50	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