Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50439467'   

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))	BDBM50439467 (CHEMBL2417685) Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H34N4O4S/c1-19(36)28-14-7-6-10-25(31-27(33)35-18-20-8-4-3-5-9-20)26(32)29-15-13-21-17-30-24-12-11-22(34-2)16-23(21)24/h3-5,8-9,11-12,16-17,25,30H,6-7,10,13-15,18H2,1-2H3,(H,28,36)(H,29,32)(H,31,33)/t25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT1 using KI177 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by ...				J Med Chem 56: 6681-95 (2013) Article DOI: 10.1021/jm400438k BindingDB Entry DOI: 10.7270/Q2H41SVR
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