Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50197515'   

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-2 (Homo sapiens (Human))	BDBM50197515 (CHEMBL3929155) Show SMILES CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C32H44N6O5S/c1-21(44)34-17-9-8-12-25-31(42)38-27(30(33)41)20-35-28(39)13-4-2-3-5-14-29(40)36-26(32(43)37-25)19-22-15-16-23-10-6-7-11-24(23)18-22/h6-7,10-11,15-16,18,25-27H,2-5,8-9,12-14,17,19-20H2,1H3,(H2,33,41)(H,34,44)(H,35,39)(H,36,40)(H,37,43)(H,38,42)/t25-,26-,27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged SIRT2 using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate incubated for 12 mins in presence of bet...				Bioorg Med Chem Lett 26: 5234-5239 (2016) Article DOI: 10.1016/j.bmcl.2016.09.055 BindingDB Entry DOI: 10.7270/Q20R9RCN
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