Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM121003'   

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))	BDBM121003 (US8716285, 60) Show SMILES ONC(=O)c1ccc2NCC(Cc2c1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H16ClN3O4S/c17-12-2-4-14(5-3-12)25(23,24)20-13-8-11-7-10(16(21)19-22)1-6-15(11)18-9-13/h1-7,13,18,20,22H,8-9H2,(H,19,21)	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	1.46E+3	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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