Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50085442'   

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))	BDBM50085442 (CHEMBL3427664) Show SMILES COc1cccc(CCCn2cccc(\C=C\C(=O)NO)c2=O)c1 Show InChI InChI=1S/C18H20N2O4/c1-24-16-8-2-5-14(13-16)6-3-11-20-12-4-7-15(18(20)22)9-10-17(21)19-23/h2,4-5,7-10,12-13,23H,3,6,11H2,1H3,(H,19,21)/b10-9+	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	30	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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