Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta' and Ligand = 'BDBM50513943'   

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))	BDBM50513943 (CHEMBL4470857) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:13| Show InChI InChI=1S/C10H15FN2O3S/c11-4-5-7(14)8(15)6-9(16-5)17-10(12-6)13-2-1-3-13/h5-9,14-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
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