Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50492405'   

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))	BDBM50492405 (CHEMBL246559) Show SMILES ONC(=O)c1csc2ccccc12 Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)7-5-13-8-4-2-1-3-6(7)8/h1-5,12H,(H,10,11)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis				Bioorg Med Chem Lett 23: 4091-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.053 BindingDB Entry DOI: 10.7270/Q22F7RCD
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