Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM65545'   

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))	BDBM65545 ((S)-4-(3-(2-((2,4-dichlorophenyl)amino)-2-oxo-1-ph...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2)cc1 Show InChI InChI=1S/C28H29Cl2N5O5/c29-20-12-15-23(22(30)17-20)33-27(38)25(18-7-3-1-4-8-18)34-28(39)32-21-13-10-19(11-14-21)26(37)31-16-6-2-5-9-24(36)35-40/h1,3-4,7-8,10-15,17,25,40H,2,5-6,9,16H2,(H,31,37)(H,33,38)(H,35,36)(H2,32,34,39)/t25-/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	1.57E+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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