Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50017342'   

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))	BDBM50017342 (CHEMBL1588664) Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...				Bioorg Med Chem 25: 5849-5858 (2017) Article DOI: 10.1016/j.bmc.2017.09.023 BindingDB Entry DOI: 10.7270/Q26Q20T7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50017342 (CHEMBL1588664) Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of SIRT1 (unknown origin)				J Med Chem 57: 4796-804 (2014) Article DOI: 10.1021/jm500487d BindingDB Entry DOI: 10.7270/Q2377B8B
					More data for this Ligand-Target Pair