Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50144208'   

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))	BDBM50144208 (CHEMBL3759998) Show SMILES COc1cc(cc(OC)c1OC)-c1cc([nH]n1)C(=O)NCCCCCCS Show InChI InChI=1S/C19H27N3O4S/c1-24-16-10-13(11-17(25-2)18(16)26-3)14-12-15(22-21-14)19(23)20-8-6-4-5-7-9-27/h10-12,27H,4-9H2,1-3H3,(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...				Eur J Med Chem 109: 350-9 (2016) Article DOI: 10.1016/j.ejmech.2016.01.013 BindingDB Entry DOI: 10.7270/Q20C4XM5
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