Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50467414'   

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))	BDBM50467414 (CHEMBL4290689) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2cccc(OCCCCCCCC(=O)NO)c2)ncc1C Show InChI InChI=1S/C27H33N5O4/c1-19-18-28-27(31-26(19)21-12-14-22(15-13-21)29-20(2)33)30-23-9-8-10-24(17-23)36-16-7-5-3-4-6-11-25(34)32-35/h8-10,12-15,17-18,35H,3-7,11,16H2,1-2H3,(H,29,33)(H,32,34)(H,28,30,31)	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	9.70	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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