Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50348395'   

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))	BDBM50348395 (CHEMBL1800248) Show SMILES CC(=O)Nc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1 Show InChI InChI=1S/C14H15N3O2S/c1-9-7-13(19)17-14(15-9)20-8-11-3-5-12(6-4-11)16-10(2)18/h3-7H,8H2,1-2H3,(H,16,18)(H,15,17,19)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
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