Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50467398'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467398 (CHEMBL4280540) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H27N5O4/c1-17(30)26-19-11-9-18(10-12-19)22-13-14-25-24(28-22)27-20-6-5-7-21(16-20)33-15-4-2-3-8-23(31)29-32/h5-7,9-14,16,32H,2-4,8,15H2,1H3,(H,26,30)(H,29,31)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
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