Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3, mitochondrial' and Ligand = 'BDBM50498617'   

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-3, mitochondrial (Homo sapiens (Human))	BDBM50498617 (CHEMBL3609652) Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C33H46N6O5S/c1-22(40)35-19-9-7-13-28(31(34)42)38-32(43)29(14-8-10-20-36-24(3)45)39-33(44)30(37-23(2)41)21-25-15-17-27(18-16-25)26-11-5-4-6-12-26/h4-6,11-12,15-18,28-30H,7-10,13-14,19-21H2,1-3H3,(H2,34,42)(H,35,40)(H,36,45)(H,37,41)(H,38,43)(H,39,44)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD				Bioorg Med Chem Lett 25: 3481-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.008 BindingDB Entry DOI: 10.7270/Q2GQ71R4
					More data for this Ligand-Target Pair