Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50156682'   

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))	BDBM50156682 (CHEMBL3794384) Show SMILES O=C(CCS\C=C\c1ccccc1)NCCSCc1ccco1 Show InChI InChI=1S/C18H21NO2S2/c20-18(19-10-14-23-15-17-7-4-11-21-17)9-13-22-12-8-16-5-2-1-3-6-16/h1-8,11-12H,9-10,13-15H2,(H,19,20)/b12-8+	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	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
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