Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase HST2' and Ligand = 'BDBM50304352'   

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
NAD-dependent protein deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50304352 (6-methoxy-2-(4-methoxy-benzyl)-1-(3-methoxy-prop-1...) Show SMILES COCC#CC1N(Cc2ccc(OC)cc2)CCc2cc(OC)c(O)cc12 Show InChI InChI=1S/C22H25NO4/c1-25-12-4-5-20-19-14-21(24)22(27-3)13-17(19)10-11-23(20)15-16-6-8-18(26-2)9-7-16/h6-9,13-14,20,24H,10-12,15H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of yeast Hst2 by fluorimetric assay				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
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