Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50428978'   

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))	BDBM50428978 (CHEMBL522606) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1 Show InChI InChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	610	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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