Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50261820'   

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))	BDBM50261820 (5-(4-acetamidophenyl)-N-(7-(hydroxyamino)-7-oxohep...) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C19H24N4O5/c1-13(24)21-15-9-7-14(8-10-15)17-12-16(23-28-17)19(26)20-11-5-3-2-4-6-18(25)22-27/h7-10,12,27H,2-6,11H2,1H3,(H,20,26)(H,21,24)(H,22,25)	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	64.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 17 hrs				J Med Chem 51: 4370-3 (2008) Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11
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