Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50478019'   

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))	BDBM50478019 (CHEMBL272134) Show SMILES CCCC(CCC)C(=O)Oc1ccc(cc1)-c1cc(=S)ss1 Show InChI InChI=1S/C17H20O2S3/c1-3-5-13(6-4-2)17(18)19-14-9-7-12(8-10-14)15-11-16(20)22-21-15/h7-11,13H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sulfidris s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC in HeLa cells				Bioorg Med Chem Lett 18: 1893-7 (2008) Article DOI: 10.1016/j.bmcl.2008.02.007 BindingDB Entry DOI: 10.7270/Q2SJ1PCV
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