Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50464792'   

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))	BDBM50464792 (CHEMBL4285608) Show SMILES COc1cccc(c1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-6-4-5-18(13-19)24-25-21(20-7-2-3-8-22(20)28-25)14-23(29-24)27-15-16-9-11-17(12-10-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
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