Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047842   

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))	BDBM50193045 (CHEMBL3986181) Show SMILES CCCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C11H15N5O2/c1-4-5-6-7-12-8-9(16(3)14-7)13-11(18)15(2)10(8)17/h4-6H2,1-3H3	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50438910 (CHEMBL1450796 | US9073941, 618) Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET...				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair