Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50222367'   

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))	BDBM50222367 (CHEMBL127351) Show SMILES O=C(CCCCCCOc1cccc(c1)-c1ccccc1)c1ncco1 Show InChI InChI=1S/C22H23NO3/c24-21(22-23-14-16-26-22)13-6-1-2-7-15-25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,14,16-17H,1-2,6-7,13,15H2	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	620	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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