Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50137837'   

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))	BDBM50137837 (8-Oxo-8-(4-pyridin-3-yl-phenyl)-octanoic acid (2-a...) Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C25H27N3O2/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21/h5-10,13-18H,1-4,11-12,26H2,(H,28,30)	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 Patents	PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Effect on induced hyperacetylation of histones in whole cells				Bioorg Med Chem Lett 14: 283-7 (2003) BindingDB Entry DOI: 10.7270/Q2BV7G17
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