Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65530'   

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))	BDBM65530 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-(napht...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1 Show InChI InChI=1S/C32H33N5O5/c38-28(37-42)13-5-2-8-20-33-30(39)24-15-17-26(18-16-24)35-32(41)36-29(23-10-3-1-4-11-23)31(40)34-27-19-14-22-9-6-7-12-25(22)21-27/h1,3-4,6-7,9-12,14-19,21,29,42H,2,5,8,13,20H2,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41)/t29-/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	1.79E+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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