Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50213133'   

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))	BDBM50213133 ((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1	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	42	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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