Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50459843'   

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))	BDBM50459843 (CHEMBL4225505) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC5SCC6NC(=O)NC56)nn4)c3)s2)n1 Show InChI InChI=1S/C55H84N10O15S3/c1-42-34-43(2)59-55(58-42)82-41-51(67)61-54-57-37-47(83-54)36-44-6-5-7-46(35-44)80-39-45-38-65(64-63-45)11-13-70-15-17-72-19-21-74-23-25-76-27-29-78-31-33-79-32-30-77-28-26-75-24-22-73-20-18-71-16-14-69-12-10-56-50(66)9-4-3-8-49-52-48(40-81-49)60-53(68)62-52/h5-7,34-35,37-38,48-49,52H,3-4,8-33,36,39-41H2,1-2H3,(H,56,66)(H,57,61,67)(H2,60,62,68)	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
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged Sirt1 (133 to 747 residues) using Z-(Ac)Lys-AMC as substrate measured after 4 hrs by high-throughput fluor...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair