Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047462   

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))	BDBM50168918 (CHEMBL3806063) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1 Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-8-17(11-22-10-15)26-12-13-3-1-5-16(7-13)23-19(25)14-4-2-6-21-9-14/h1-11H,12H2,(H2,20,24)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...				J Med Chem 59: 2928-41 (2016) Article DOI: 10.1021/acs.jmedchem.5b01376 BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50168905 (CHEMBL3805692) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCOCC3)c2)c1 Show InChI InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...				J Med Chem 59: 2928-41 (2016) Article DOI: 10.1021/acs.jmedchem.5b01376 BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50168921 (CHEMBL3806257) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1 Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-9-17(11-22-10-15)26-12-13-2-1-3-16(8-13)23-19(25)14-4-6-21-7-5-14/h1-11H,12H2,(H2,20,24)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...				J Med Chem 59: 2928-41 (2016) Article DOI: 10.1021/acs.jmedchem.5b01376 BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50168493 (CHEMBL3805479) Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccs3)c2)c1 Show InChI InChI=1S/C24H19N3O3S/c25-23(28)19-12-21(14-26-13-19)30-15-16-3-1-4-20(11-16)27-24(29)18-8-6-17(7-9-18)22-5-2-10-31-22/h1-14H,15H2,(H2,25,28)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...				J Med Chem 59: 2928-41 (2016) Article DOI: 10.1021/acs.jmedchem.5b01376 BindingDB Entry DOI: 10.7270/Q2Z89F9W
					More data for this Ligand-Target Pair