Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit alpha' and Ligand = 'BDBM50235813'   

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 (Homo sapiens (Human))	BDBM50235813 (CHEMBL4097052) Show SMILES CC(=O)N[C@H]1[C@@H](COCCCCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H30N2O5/c1-13(23)20-17-16(21-15(11-22)18(24)19(17)25)12-26-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-19,21-22,24-25H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-,17+,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans& CNRS Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Eur J Med Chem 126: 160-170 (2017) Article DOI: 10.1016/j.ejmech.2016.09.095 BindingDB Entry DOI: 10.7270/Q21G0PHR
					More data for this Ligand-Target Pair