Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50137836'   

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))	BDBM50137836 (8-(3',4'-Dimethoxy-biphenyl-4-yl)-8-oxo-octanoic a...) Show SMILES COc1ccc(cc1OC)-c1ccc(cc1)C(=O)CCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C28H32N2O4/c1-33-26-18-17-22(19-27(26)34-2)20-13-15-21(16-14-20)25(31)11-5-3-4-6-12-28(32)30-24-10-8-7-9-23(24)29/h7-10,13-19H,3-6,11-12,29H2,1-2H3,(H,30,32)	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	n/a	n/a	3.00E+3	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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