Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50275951'   

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))	BDBM50275951 ((S)-4-cyano-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)...) Show SMILES CC(=O)CCCCC[C@H](NS(=O)(=O)c1ccc(cc1)C#N)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C24H26N4O3S/c1-18(29)8-4-2-7-11-22(24-26-17-23(27-24)20-9-5-3-6-10-20)28-32(30,31)21-14-12-19(16-25)13-15-21/h3,5-6,9-10,12-15,17,22,28H,2,4,7-8,11H2,1H3,(H,26,27)/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	180	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