Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50213126'   

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))	BDBM50213126 ((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H24N4O4/c25-18(24-28)13-6-2-5-12-17(20(27)22-15-9-3-1-4-10-15)23-19(26)16-11-7-8-14-21-16/h1,3-4,7-11,14,17,28H,2,5-6,12-13H2,(H,22,27)(H,23,26)(H,24,25)/t17-/m0/s1	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	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC 1				Bioorg Med Chem Lett 17: 3969-71 (2007) Article DOI: 10.1016/j.bmcl.2007.04.089 BindingDB Entry DOI: 10.7270/Q2M908CJ
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