Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50467415'   

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))	BDBM50467415 (CHEMBL4283513) Show SMILES CN1CCN(CC(=O)Nc2ccc(cc2)-c2ccnc(Nc3ccc(OCCCCCCC(=O)NO)cc3)n2)CC1 Show InChI InChI=1S/C30H39N7O4/c1-36-17-19-37(20-18-36)22-29(39)32-24-9-7-23(8-10-24)27-15-16-31-30(34-27)33-25-11-13-26(14-12-25)41-21-5-3-2-4-6-28(38)35-40/h7-16,40H,2-6,17-22H2,1H3,(H,32,39)(H,35,38)(H,31,33,34)	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	6.10	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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