Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50080007'   

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 8 (Homo sapiens (Human))	BDBM50080007 (CHEMBL3415963) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCC(=O)NO)nc2c(=O)[nH]1 Show InChI InChI=1S/C21H26N8O4/c22-21-27-18-17(20(32)28-21)26-15(12-25-18)11-24-14-8-6-13(7-9-14)19(31)23-10-4-2-1-3-5-16(30)29-33/h6-9,12,24,33H,1-5,10-11H2,(H,23,31)(H,29,30)(H3,22,25,27,28,32)	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	1.06E+3	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 HDAC8 (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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