Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50479660'   

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 (Homo sapiens (Human))	BDBM50479660 (CHEMBL514179) Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc(cc1)C(=O)CSC(C)=O Show InChI InChI=1S/C19H20N2O5S2/c1-13(22)27-12-18(23)14-3-5-15(6-4-14)20-28(24,25)16-7-8-17-19(11-16)26-10-9-21(17)2/h3-8,11,20H,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Kalypsys Inc Curated by ChEMBL					Assay Description Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation				Bioorg Med Chem Lett 18: 6482-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.058 BindingDB Entry DOI: 10.7270/Q2G44T2P
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