Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50144216'   

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))	BDBM50144216 (CHEMBL3760013) Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1cnccn1 Show InChI InChI=1S/C14H19N5OS/c20-14(17-5-3-1-2-4-8-21)12-9-11(18-19-12)13-10-15-6-7-16-13/h6-7,9-10,21H,1-5,8H2,(H,17,20)(H,18,19)	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	Article PubMed	n/a	n/a	18	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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