Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65544'   

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))	BDBM65544 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES Cc1cccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1 Show InChI InChI=1S/C29H33N5O5/c1-20-9-8-12-24(19-20)31-28(37)26(21-10-4-2-5-11-21)33-29(38)32-23-16-14-22(15-17-23)27(36)30-18-7-3-6-13-25(35)34-39/h2,4-5,8-12,14-17,19,26,39H,3,6-7,13,18H2,1H3,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t26-/m0/s1	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	1.32E+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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