Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50498608'   

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))	BDBM50498608 (CHEMBL3609647) Show SMILES CCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H42N6O5S/c1-5-10-19(27-16(3)31)22(33)29-20(12-7-9-14-26-17(4)35)23(34)28-18(21(24)32)11-6-8-13-25-15(2)30/h18-20H,5-14H2,1-4H3,(H2,24,32)(H,25,30)(H,26,35)(H,27,31)(H,28,34)(H,29,33)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of human His6 or GST-tagged SIRT1 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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