Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50209788'   

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))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
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