Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50222392'   

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))	BDBM50222392 (CHEMBL340721) Show SMILES O=C(CCCCCCS(=O)(=O)c1ccc2ccccc2c1)c1ncco1 Show InChI InChI=1S/C20H21NO4S/c22-19(20-21-12-13-25-20)9-3-1-2-6-14-26(23,24)18-11-10-16-7-4-5-8-17(16)15-18/h4-5,7-8,10-13,15H,1-3,6,9,14H2	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	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.				Bioorg Med Chem Lett 13: 3909-13 (2003) BindingDB Entry DOI: 10.7270/Q2ZP4892
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