Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50535358'   

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))	BDBM50535358 (CHEMBL4569471) Show SMILES CNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C22H28N4O4S/c1-23-21(31)24-13-6-5-12-19(20(28)25-17-10-7-11-18(27)14-17)26-22(29)30-15-16-8-3-2-4-9-16/h2-4,7-11,14,19,27H,5-6,12-13,15H2,1H3,(H,25,28)(H,26,29)(H2,23,24,31)/t19-/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	>1.00E+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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