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 = 'BDBM50498601'   

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))	BDBM50498601 (CHEMBL3608448) Show SMILES CC(=O)NC[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/C30H40N6O5S/c1-19(37)33-18-27(28(31)39)36-29(40)25(11-7-8-16-32-21(3)42)35-30(41)26(34-20(2)38)17-22-12-14-24(15-13-22)23-9-5-4-6-10-23/h4-6,9-10,12-15,25-27H,7-8,11,16-18H2,1-3H3,(H2,31,39)(H,32,42)(H,33,37)(H,34,38)(H,35,41)(H,36,40)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	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
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