Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50484761'   

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))	BDBM50484761 (CHEMBL1958433) Show SMILES COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C20H23N3O5S/c1-28-19-8-3-2-7-18(19)22-11-13-23(14-12-22)29(26,27)17-6-4-5-16(15-17)9-10-20(24)21-25/h2-10,15,25H,11-14H2,1H3,(H,21,24)/b10-9+	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	22	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
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