Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50467401'   

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 6 (Homo sapiens (Human))	BDBM50467401 (CHEMBL4294153) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(OCCCCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C25H29N5O4/c1-18(31)27-20-12-10-19(11-13-20)23-14-15-26-25(29-23)28-21-7-6-8-22(17-21)34-16-5-3-2-4-9-24(32)30-33/h6-8,10-15,17,33H,2-5,9,16H2,1H3,(H,27,31)(H,30,32)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and mea...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
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