Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50080005'   

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 1 (Homo sapiens (Human))	BDBM50080005 (CHEMBL3415965) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NCCCCCCCCC(=O)NO)nc2c(=O)[nH]1 Show InChI InChI=1S/C23H30N8O4/c24-23-29-20-19(22(34)30-23)28-17(14-27-20)13-26-16-10-8-15(9-11-16)21(33)25-12-6-4-2-1-3-5-7-18(32)31-35/h8-11,14,26,35H,1-7,12-13H2,(H,25,33)(H,31,32)(H3,24,27,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry				Eur J Med Chem 96: 340-59 (2015) Article DOI: 10.1016/j.ejmech.2015.04.014 BindingDB Entry DOI: 10.7270/Q269759B
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