Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50535360'   

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))	BDBM50535360 (CHEMBL4463565) Show SMILES CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C33H50N4O3S/c1-2-3-4-5-6-7-8-9-10-18-25-34-32(41)35-26-19-17-24-30(31(38)36-29-22-15-12-16-23-29)37-33(39)40-27-28-20-13-11-14-21-28/h11-16,20-23,30H,2-10,17-19,24-27H2,1H3,(H,36,38)(H,37,39)(H2,34,35,41)/t30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human SIRT1 deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measure...				J Med Chem 62: 4131-4141 (2019) Article DOI: 10.1021/acs.jmedchem.9b00191 BindingDB Entry DOI: 10.7270/Q21C21BC
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