Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50056975'   

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))	BDBM50056975 (CHEMBL3329999) Show SMILES Cn1cc(CCNS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C20H21N3O4S/c1-23-14-16(18-4-2-3-5-19(18)23)12-13-21-28(26,27)17-9-6-15(7-10-17)8-11-20(24)22-25/h2-11,14,21,25H,12-13H2,1H3,(H,22,24)/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay				Eur J Med Chem 85: 468-79 (2014) Article DOI: 10.1016/j.ejmech.2014.08.020 BindingDB Entry DOI: 10.7270/Q2NK3GQQ
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