Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM120952'   

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 8 (Homo sapiens (Human))	BDBM120952 (US8716285, 9) Show SMILES CCOc1cc(C)nc(NC2CCc3ccc(cc3C2)C(=O)NO)n1 Show InChI InChI=1S/C18H22N4O3/c1-3-25-16-8-11(2)19-18(21-16)20-15-7-6-12-4-5-13(17(23)22-24)9-14(12)10-15/h4-5,8-9,15,24H,3,6-7,10H2,1-2H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay. In a detailed procedure, 8 μl o...				US Patent US8716285 (2014) BindingDB Entry DOI: 10.7270/Q2K072XG
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