Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50479661'   

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))	BDBM50479661 (CHEMBL473616) Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3CCN(C(C)=O)c3c2)cc1 Show InChI InChI=1S/C20H20N2O5S2/c1-13(23)22-10-9-15-5-8-18(11-19(15)22)29(26,27)21-17-6-3-16(4-7-17)20(25)12-28-14(2)24/h3-8,11,21H,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	91	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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