Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50223409'   

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))	BDBM50223409 (CHEMBL314643) Show SMILES C\C(\C=C\C(=O)NO)=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-14(7-12-18(21)19-22)13-15-8-10-16(11-9-15)20-25(23,24)17-5-3-2-4-6-17/h2-13,20,22H,1H3,(H,19,21)/b12-7+,14-13+	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	PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract				Bioorg Med Chem Lett 14: 2477-81 (2004) BindingDB Entry DOI: 10.7270/Q2S184Q6
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