Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50080071'   

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))	BDBM50080071 (CHEMBL3415962) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCC(=O)NO)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H24N8O4/c21-20-26-17-16(19(31)27-20)25-14(11-24-17)10-23-13-7-5-12(6-8-13)18(30)22-9-3-1-2-4-15(29)28-32/h5-8,11,23,32H,1-4,9-10H2,(H,22,30)(H,28,29)(H3,21,24,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry				Eur J Med Chem 96: 340-59 (2015) Article DOI: 10.1016/j.ejmech.2015.04.014 BindingDB Entry DOI: 10.7270/Q269759B
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