Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50085444'   

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))	BDBM50085444 (CHEMBL3427666) Show SMILES CCOc1ccccc1CCCn1cccc(\C=C\C(=O)NO)c1=O Show InChI InChI=1S/C19H22N2O4/c1-2-25-17-10-4-3-7-15(17)8-5-13-21-14-6-9-16(19(21)23)11-12-18(22)20-24/h3-4,6-7,9-12,14,24H,2,5,8,13H2,1H3,(H,20,22)/b12-11+	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 Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading...				J Med Chem 58: 3512-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00062 BindingDB Entry DOI: 10.7270/Q2GB25R3
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