Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50275369'   

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))	BDBM50275369 ((S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)-3...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C25H36N4O2/c1-20(30)11-5-2-8-14-22(27-24(31)15-18-29-16-9-4-10-17-29)25-26-19-23(28-25)21-12-6-3-7-13-21/h3,6-7,12-13,19,22H,2,4-5,8-11,14-18H2,1H3,(H,26,28)(H,27,31)/t22-/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	190	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminally flag tagged HDAC1				Bioorg Med Chem Lett 18: 5528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.09.003 BindingDB Entry DOI: 10.7270/Q24T6K81
					More data for this Ligand-Target Pair