Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit alpha/beta' and Ligand = 'BDBM50491608'   

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 alpha/beta (Homo sapiens (Human))	BDBM50491608 (CHEMBL2385925) Show SMILES NCCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C16H16N2O2/c17-9-1-2-10-18-15(19)12-7-3-5-11-6-4-8-13(14(11)12)16(18)20/h3-8H,1-2,9-10,17H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human beta-N-acetyl-D-hexosaminidase-A/B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate incubated for 10 mins pr...				ACS Med Chem Lett 4: 527-31 (2013) Article DOI: 10.1021/ml300475m BindingDB Entry DOI: 10.7270/Q2HX1GMT
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