Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50200917'   

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))	BDBM50200917 ((S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-di...) Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C23H29N3O5/c27-21(26-30)15-9-3-8-14-20(22(28)24-16-18-10-4-1-5-11-18)25-23(29)31-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,30H,3,8-9,14-17H2,(H,24,28)(H,25,29)(H,26,27)/t20-/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	48	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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