Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50342751'   

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))	BDBM50342751 (CHEMBL1771485 | N-hydroxy-3-(2-(4-(prop-2-ynyloxy)...) Show SMILES ONC(=O)c1cccc(c1)C(=O)N\N=C\c1ccc(OCC#C)cc1 Show InChI InChI=1S/C18H15N3O4/c1-2-10-25-16-8-6-13(7-9-16)12-19-20-17(22)14-4-3-5-15(11-14)18(23)21-24/h1,3-9,11-12,24H,10H2,(H,20,22)(H,21,23)/b19-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Howard Hughes Medical Institute Curated by ChEMBL					Assay Description Inhibition of full length HDAC8 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 21: 2601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.134 BindingDB Entry DOI: 10.7270/Q2ZC835M
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