Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65539'   

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))	BDBM65539 ((S)-4-(3-(2-((3-fluoro-4-methoxyphenyl)amino)-2-ox...) Show SMILES COc1cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)ccc1F Show InChI InChI=1S/C29H32FN5O6/c1-41-24-18-22(15-16-23(24)30)32-28(38)26(19-8-4-2-5-9-19)34-29(39)33-21-13-11-20(12-14-21)27(37)31-17-7-3-6-10-25(36)35-40/h2,4-5,8-9,11-16,18,26,40H,3,6-7,10,17H2,1H3,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
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