Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50137841'   

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))	BDBM50137841 (6-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-hexanoic ...) Show SMILES Nc1ccccc1NC(=O)CCCCCn1nnc2ccccc2c1=O Show InChI InChI=1S/C19H21N5O2/c20-15-9-4-6-11-17(15)21-18(25)12-2-1-7-13-24-19(26)14-8-3-5-10-16(14)22-23-24/h3-6,8-11H,1-2,7,12-13,20H2,(H,21,25)	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	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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