Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta' and Ligand = 'BDBM50182804'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM50182804 (2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	540	-36.4	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
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM50182804 (2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...) Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.				Chem Biol 8: 701-11 (2001) Article DOI: 10.1016/S1074-5521(01)00045-X BindingDB Entry DOI: 10.7270/Q28C9TNR
					More data for this Ligand-Target Pair