Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50439672'   

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))	BDBM50439672 (CHEMBL2417783) Show SMILES Cc1onc(c1C(=O)NCCCCCNC(=O)CS)-c1ccccc1 Show InChI InChI=1S/C18H23N3O3S/c1-13-16(17(21-24-13)14-8-4-2-5-9-14)18(23)20-11-7-3-6-10-19-15(22)12-25/h2,4-5,8-9,25H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,23)	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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				J Med Chem 56: 6297-313 (2013) Article DOI: 10.1021/jm4001659 BindingDB Entry DOI: 10.7270/Q29G5P7J
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