Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50195111'   

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))	BDBM50195111 ((S)-N-(1-(3-methoxyphenylamino)-1,8-dioxononan-2-y...) Show SMILES COc1cccc(NC(=O)[C@H](CCCCCC(C)=O)NC(=O)c2cncs2)c1 Show InChI InChI=1S/C20H25N3O4S/c1-14(24)7-4-3-5-10-17(23-20(26)18-12-21-13-28-18)19(25)22-15-8-6-9-16(11-15)27-2/h6,8-9,11-13,17H,3-5,7,10H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
					More data for this Ligand-Target Pair