Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50428985'   

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 sirtuin-1 (Homo sapiens (Human))	BDBM50428985 (CHEMBL490880) Show SMILES COc1cccc(c1)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
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