Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65531'   

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))	BDBM65531 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)cc1 Show InChI InChI=1S/C29H30F3N5O5/c30-29(31,32)21-10-7-11-23(18-21)34-27(40)25(19-8-3-1-4-9-19)36-28(41)35-22-15-13-20(14-16-22)26(39)33-17-6-2-5-12-24(38)37-42/h1,3-4,7-11,13-16,18,25,42H,2,5-6,12,17H2,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41)/t25-/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	967	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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