Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50397358'   

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))	BDBM50397358 (CHEMBL2170174) Show SMILES COc1cc(COc2ccc(NC(=O)CCCCCCC(=O)OCc3ccc(CN=[N+]=[N-])cc3)cc2)cc(c1)N=[N+]=[N-] Show InChI InChI=1S/C30H33N7O5/c1-40-28-17-24(16-26(18-28)35-37-32)21-41-27-14-12-25(13-15-27)34-29(38)6-4-2-3-5-7-30(39)42-20-23-10-8-22(9-11-23)19-33-36-31/h8-18H,2-7,19-21H2,1H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...				Bioorg Med Chem Lett 22: 6621-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR
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