Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50137838'   

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))	BDBM50137838 (6-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-...) Show SMILES Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23 Show InChI InChI=1S/C24H22BrN3O3/c25-18-13-12-17-22-15(18)7-6-8-16(22)23(30)28(24(17)31)14-5-1-2-11-21(29)27-20-10-4-3-9-19(20)26/h3-4,6-10,12-13H,1-2,5,11,14,26H2,(H,27,29)	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 Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+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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