Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65538'   

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))	BDBM65538 ((S)-4-(3-(2-((3,5-dimethylphenyl)amino)-2-oxo-1-ph...) Show SMILES Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1 Show InChI InChI=1S/C30H35N5O5/c1-20-17-21(2)19-25(18-20)32-29(38)27(22-9-5-3-6-10-22)34-30(39)33-24-14-12-23(13-15-24)28(37)31-16-8-4-7-11-26(36)35-40/h3,5-6,9-10,12-15,17-19,27,40H,4,7-8,11,16H2,1-2H3,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t27-/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	1.66E+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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