Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50276037'   

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))	BDBM50276037 ((S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)th...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C21H24N4O2S/c1-15(26)8-4-2-7-11-17(25-21(27)19-13-22-14-28-19)20-23-12-18(24-20)16-9-5-3-6-10-16/h3,5-6,9-10,12-14,17H,2,4,7-8,11H2,1H3,(H,23,24)(H,25,27)/t17-/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	140	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