Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50047969'   

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 4 (Homo sapiens (Human))	BDBM50047969 (CHEMBL3314863) Show SMILES ONC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1 Show InChI InChI=1S/C21H17N3O3/c25-21(24-26)16-10-8-14(9-11-16)12-19-22-23-20(27-19)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,26H,12-13H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	25
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...				J Med Chem 57: 6259-65 (2014) Article DOI: 10.1021/jm500303u BindingDB Entry DOI: 10.7270/Q2KK9DFZ
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