Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50197508'   

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))	BDBM50197508 (CHEMBL3889954) Show SMILES CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r| Show InChI InChI=1S/C28H50N6O5S/c1-3-4-13-22-27(38)34-23(15-10-11-18-30-20(2)40)28(39)33-21(26(29)37)14-9-12-19-31-24(35)16-7-5-6-8-17-25(36)32-22/h21-23H,3-19H2,1-2H3,(H2,29,37)(H,30,40)(H,31,35)(H,32,36)(H,33,39)(H,34,38)/t21-,22-,23-/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	240	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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