Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50042847'   

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 3 (Homo sapiens (Human))	BDBM50042847 (CHEMBL3098602) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using RHKK(Ac) as substrate by fluorimetric analysis				Bioorg Med Chem Lett 25: 459-61 (2015) Article DOI: 10.1016/j.bmcl.2014.12.051 BindingDB Entry DOI: 10.7270/Q2445P3R
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