Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50214437'   

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))	BDBM50214437 (6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...) Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19| Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)	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	152	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay				J Med Chem 50: 3054-61 (2007) Article DOI: 10.1021/jm070178x BindingDB Entry DOI: 10.7270/Q26W99SW
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