Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50458494'   

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))	BDBM50458494 (CHEMBL4206296) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)[C@@H]1CC[C@@H](CC1)C(=O)NO |r,wD:26.32,23.25,(29.43,-23.41,;29.03,-21.92,;27.53,-21.6,;27.05,-20.14,;27.96,-18.89,;27.05,-17.64,;27.53,-16.18,;25.59,-18.12,;25.59,-19.66,;24.25,-20.43,;22.92,-19.66,;22.92,-18.12,;24.25,-17.35,;24.25,-15.81,;21.58,-20.43,;21.58,-21.97,;20.25,-22.74,;18.92,-21.97,;18.92,-20.43,;20.25,-19.66,;20.25,-18.12,;18.92,-17.35,;18.92,-15.81,;20.25,-24.28,;21.58,-25.05,;21.58,-26.59,;20.25,-27.36,;18.92,-26.59,;18.92,-25.05,;20.25,-28.9,;21.58,-29.67,;18.92,-29.67,;17.58,-28.9,)| Show InChI InChI=1S/C24H31N5O4/c1-4-6-18-20-21(29(3)27-18)24(31)26-22(25-20)17-13-16(11-12-19(17)33-5-2)14-7-9-15(10-8-14)23(30)28-32/h11-15,32H,4-10H2,1-3H3,(H,28,30)(H,25,26,31)/t14-,15+	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	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
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