Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'suuronen' and Initial = 't'   

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))	BDBM50257407 (CHEMBL504310 | His-Lys-Lys(epsilon-thioAc)Ala-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C28H49N9O6S2/c1-17(24(38)37-23(28(42)43)10-13-45-3)34-26(40)21(9-5-7-12-32-18(2)44)36-27(41)22(8-4-6-11-29)35-25(39)20(30)14-19-15-31-16-33-19/h15-17,20-23H,4-14,29-30H2,1-3H3,(H,31,33)(H,32,44)(H,34,40)(H,35,39)(H,36,41)(H,37,38)(H,42,43)/t17-,20-,21-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257289 (CHEMBL505399 | Ser-Lys-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C27H51N7O8S/c1-5-15(2)21(27(41)42)33-26(40)22(16(3)36)34-25(39)20(11-7-9-13-30-17(4)43)32-24(38)19(10-6-8-12-28)31-23(37)18(29)14-35/h15-16,18-22,35-36H,5-14,28-29H2,1-4H3,(H,30,43)(H,31,37)(H,32,38)(H,33,40)(H,34,39)(H,41,42)/t15-,16+,18-,19-,20-,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257348 (CHEMBL492925 | Ser-Ala-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C24H44N6O8S/c1-6-12(2)18(24(37)38)29-23(36)19(14(4)32)30-22(35)17(9-7-8-10-26-15(5)39)28-20(33)13(3)27-21(34)16(25)11-31/h12-14,16-19,31-32H,6-11,25H2,1-5H3,(H,26,39)(H,27,34)(H,28,33)(H,29,36)(H,30,35)(H,37,38)/t12-,13-,14+,16-,17-,18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257345 (CHEMBL510904 | His-Lys-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C30H53N9O7S/c1-5-17(2)24(30(45)46)38-29(44)25(18(3)40)39-28(43)23(11-7-9-13-34-19(4)47)37-27(42)22(10-6-8-12-31)36-26(41)21(32)14-20-15-33-16-35-20/h15-18,21-25,40H,5-14,31-32H2,1-4H3,(H,33,35)(H,34,47)(H,36,41)(H,37,42)(H,38,44)(H,39,43)(H,45,46)/t17-,18+,21-,22-,23-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326778 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326778 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5S/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of SIRT1				Bioorg Med Chem Lett 17: 2448-51 (2007) Article DOI: 10.1016/j.bmcl.2007.02.023 BindingDB Entry DOI: 10.7270/Q2CR5V53
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257239 (CHEMBL447677 | His-Lys-Lys(epsilon-thioAc)-Leu-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C31H55N9O6S2/c1-19(2)15-26(30(44)39-25(31(45)46)11-14-48-4)40-29(43)24(10-6-8-13-35-20(3)47)38-28(42)23(9-5-7-12-32)37-27(41)22(33)16-21-17-34-18-36-21/h17-19,22-26H,5-16,32-33H2,1-4H3,(H,34,36)(H,35,47)(H,37,41)(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t22-,23-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257239 (CHEMBL447677 | His-Lys-Lys(epsilon-thioAc)-Leu-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C31H55N9O6S2/c1-19(2)15-26(30(44)39-25(31(45)46)11-14-48-4)40-29(43)24(10-6-8-13-35-20(3)47)38-28(42)23(9-5-7-12-32)37-27(41)22(33)16-21-17-34-18-36-21/h17-19,22-26H,5-16,32-33H2,1-4H3,(H,34,36)(H,35,47)(H,37,41)(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t22-,23-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257286 (CHEMBL521807 | Lys-Lys(epsilon-thioAc)-Leu-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C25H48N6O5S2/c1-16(2)15-21(24(34)30-20(25(35)36)11-14-38-4)31-23(33)19(10-6-8-13-28-17(3)37)29-22(32)18(27)9-5-7-12-26/h16,18-21H,5-15,26-27H2,1-4H3,(H,28,37)(H,29,32)(H,30,34)(H,31,33)(H,35,36)/t18-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326780 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-ethane...) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=[Se])NC(=O)[C@H](C)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C16H28N4O5Se/c1-9(18-11(3)21)14(22)20-13(7-5-6-8-17-12(4)26)15(23)19-10(2)16(24)25/h9-10,13H,5-8H2,1-4H3,(H,17,26)(H,18,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355041 (CHEMBL1835301) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r| Show InChI InChI=1S/C18H30N4O5S/c1-11(18(26)27)20-16(24)14(7-4-5-9-19-12(2)28)21-17(25)15-8-6-10-22(15)13(3)23/h11,14-15H,4-10H2,1-3H3,(H,19,28)(H,20,24)(H,21,25)(H,26,27)/t11-,14-,15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257405 (Ala-Lys-Lys(epsilon-thioAc)Leu-Met | CHEMBL504711) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(O)=O |r| Show InChI InChI=1S/C28H53N7O6S2/c1-17(2)16-23(27(39)34-22(28(40)41)12-15-43-5)35-26(38)21(11-7-9-14-31-19(4)42)33-25(37)20(10-6-8-13-29)32-24(36)18(3)30/h17-18,20-23H,6-16,29-30H2,1-5H3,(H,31,42)(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t18-,20-,21-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355038 (CHEMBL1835296) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C17H31N5O4S/c1-10(15(24)18-5)21-17(26)14(8-6-7-9-19-13(4)27)22-16(25)11(2)20-12(3)23/h10-11,14H,6-9H2,1-5H3,(H,18,24)(H,19,27)(H,20,23)(H,21,26)(H,22,25)/t10-,11-,14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257285 (CHEMBL492308 | His-Lys-Lys(epsilon-thioAc)-Leu) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C26H46N8O5S/c1-16(2)12-22(26(38)39)34-25(37)21(9-5-7-11-30-17(3)40)33-24(36)20(8-4-6-10-27)32-23(35)19(28)13-18-14-29-15-31-18/h14-16,19-22H,4-13,27-28H2,1-3H3,(H,29,31)(H,30,40)(H,32,35)(H,33,36)(H,34,37)(H,38,39)/t19-,20-,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257406 (CHEMBL453807 | His-Ala-Lys(epsilon-thioAc)Leu-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C28H48N8O6S2/c1-16(2)12-23(27(40)35-22(28(41)42)9-11-44-5)36-26(39)21(8-6-7-10-31-18(4)43)34-24(37)17(3)33-25(38)20(29)13-19-14-30-15-32-19/h14-17,20-23H,6-13,29H2,1-5H3,(H,30,32)(H,31,43)(H,33,38)(H,34,37)(H,35,40)(H,36,39)(H,41,42)/t17-,20-,21-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257287 (CHEMBL492309 | Lys-Lys(epsilon-thioAc)-Leu) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C20H39N5O4S/c1-13(2)12-17(20(28)29)25-19(27)16(9-5-7-11-23-14(3)30)24-18(26)15(22)8-4-6-10-21/h13,15-17H,4-12,21-22H2,1-3H3,(H,23,30)(H,24,26)(H,25,27)(H,28,29)/t15-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257287 (CHEMBL492309 | Lys-Lys(epsilon-thioAc)-Leu) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C20H39N5O4S/c1-13(2)12-17(20(28)29)25-19(27)16(9-5-7-11-23-14(3)30)24-18(26)15(22)8-4-6-10-21/h13,15-17H,4-12,21-22H2,1-3H3,(H,23,30)(H,24,26)(H,25,27)(H,28,29)/t15-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355040 (CHEMBL1835298) Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C14H26N4O4S/c1-8(15)12(19)18-11(6-4-5-7-16-10(3)23)13(20)17-9(2)14(21)22/h8-9,11H,4-7,15H2,1-3H3,(H,16,23)(H,17,20)(H,18,19)(H,21,22)/t8-,9-,11-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326779 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-(3-met...) Show SMILES CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5S/c1-11(2)10-16(29)20-9-7-6-8-15(18(26)22-13(4)19(27)28)23-17(25)12(3)21-14(5)24/h11-13,15H,6-10H2,1-5H3,(H,20,29)(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t12-,13-,15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355043 (CHEMBL1835302) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O6S/c1-11(22-18(28)29-19(4,5)6)15(24)23-14(9-7-8-10-20-13(3)30)16(25)21-12(2)17(26)27/h11-12,14H,7-10H2,1-6H3,(H,20,30)(H,21,25)(H,22,28)(H,23,24)(H,26,27)/t11-,12-,14-/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	770	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50439468 (CHEMBL2417682) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-18(34)26-15-7-6-10-22(28-25(31)33-17-19-8-4-3-5-9-19)24(30)27-16-23(29)20-11-13-21(32-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,34)(H,27,30)(H,28,31)/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257408 (CHEMBL449883 | His-Lys-Lys(epsilon-thioAc)Leu-Ala) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C29H51N9O6S/c1-17(2)13-24(28(42)35-18(3)29(43)44)38-27(41)23(10-6-8-12-33-19(4)45)37-26(40)22(9-5-7-11-30)36-25(39)21(31)14-20-15-32-16-34-20/h15-18,21-24H,5-14,30-31H2,1-4H3,(H,32,34)(H,33,45)(H,35,42)(H,36,39)(H,37,40)(H,38,41)(H,43,44)/t18-,21-,22-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355048 (CHEMBL1835308) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C22H38N4O6S/c1-14(20(29)30)24-19(28)17(10-6-7-11-23-15(2)33)25-18(27)16-9-8-12-26(13-16)21(31)32-22(3,4)5/h14,16-17H,6-13H2,1-5H3,(H,23,33)(H,24,28)(H,25,27)(H,29,30)/t14-,16+,17-/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	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355046 (CHEMBL1835305) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C20H29N3O4S/c1-14(20(26)27)22-19(25)17(10-6-7-13-21-15(2)28)23-18(24)12-11-16-8-4-3-5-9-16/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3,(H,21,28)(H,22,25)(H,23,24)(H,26,27)/t14-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355039 (CHEMBL1835297) Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C17H30N4O5S/c1-10(19-12(3)22)15(23)21-14(8-6-7-9-18-13(4)27)16(24)20-11(2)17(25)26-5/h10-11,14H,6-9H2,1-5H3,(H,18,27)(H,19,22)(H,20,24)(H,21,23)/t10-,11-,14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355049 (CHEMBL1835307) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1O)C(O)=O |r| Show InChI InChI=1S/C20H29N3O5S/c1-13(20(27)28)22-19(26)16(8-5-6-12-21-14(2)29)23-18(25)11-10-15-7-3-4-9-17(15)24/h3-4,7,9,13,16,24H,5-6,8,10-12H2,1-2H3,(H,21,29)(H,22,26)(H,23,25)(H,27,28)/t13-,16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355047 (CHEMBL1835306) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C20H28FN3O4S/c1-13(20(27)28)23-19(26)17(9-5-6-12-22-14(2)29)24-18(25)11-10-15-7-3-4-8-16(15)21/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,22,29)(H,23,26)(H,24,25)(H,27,28)/t13-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355045 (CHEMBL1835304) Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H27N3O5S/c1-13(18(24)25)21-17(23)16(10-6-7-11-20-14(2)28)22-19(26)27-12-15-8-4-3-5-9-15/h3-5,8-9,13,16H,6-7,10-12H2,1-2H3,(H,20,28)(H,21,23)(H,22,26)(H,24,25)/t13-,16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257291 (CHEMBL492710 | Ser-Asp-Lys(epsilon-thioAc)Thr-Met) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C24H42N6O10S2/c1-12(32)19(23(38)28-16(24(39)40)7-9-42-3)30-21(36)15(6-4-5-8-26-13(2)41)27-22(37)17(10-18(33)34)29-20(35)14(25)11-31/h12,14-17,19,31-32H,4-11,25H2,1-3H3,(H,26,41)(H,27,37)(H,28,38)(H,29,35)(H,30,36)(H,33,34)(H,39,40)/t12-,14+,15+,16+,17+,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395320 (CHEMBL2164016) Show SMILES CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r| Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 preincubated for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 55: 7104-13 (2012) Article DOI: 10.1021/jm3005288 BindingDB Entry DOI: 10.7270/Q2VT1T6N
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395319 (CHEMBL2164018) Show SMILES CCCCCC1CC(=O)c2cc(Br)cc(Br)c2O1 Show InChI InChI=1S/C14H16Br2O2/c1-2-3-4-5-10-8-13(17)11-6-9(15)7-12(16)14(11)18-10/h6-7,10H,2-5,8H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 preincubated for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 55: 7104-13 (2012) Article DOI: 10.1021/jm3005288 BindingDB Entry DOI: 10.7270/Q2VT1T6N
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50355053 (CHEMBL1835312) Show SMILES CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H29N3O4S/c1-18(32)25-15-9-8-14-21(27-24(30)31-17-19-10-4-2-5-11-19)23(29)26-16-22(28)20-12-6-3-7-13-20/h2-7,10-13,21H,8-9,14-17H2,1H3,(H,25,32)(H,26,29)(H,27,30)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50326781 ((S)-Benzyl 6-ethaneselenoamido-1-oxo-1-(phenylamin...) Show SMILES CC(=[Se])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3Se/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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 SIRT2 using KI179 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
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50355054 (CHEMBL1835299) Show SMILES C[C@H](NC(=O)[C@@H](N)CCCCNC(C)=S)C(O)=O |r| Show InChI InChI=1S/C11H21N3O3S/c1-7(11(16)17)14-10(15)9(12)5-3-4-6-13-8(2)18/h7,9H,3-6,12H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)/t7-,9-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT2 at 200 uM after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50439468 (CHEMBL2417682) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-18(34)26-15-7-6-10-22(28-25(31)33-17-19-8-4-3-5-9-19)24(30)27-16-23(29)20-11-13-21(32-2)14-12-20/h3-5,8-9,11-14,22H,6-7,10,15-17H2,1-2H3,(H,26,34)(H,27,30)(H,28,31)/t22-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.53E+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 SIRT2 using KI179 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
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50326781 ((S)-Benzyl 6-ethaneselenoamido-1-oxo-1-(phenylamin...) Show SMILES CC(=[Se])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3Se/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT2 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50355038 (CHEMBL1835296) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C17H31N5O4S/c1-10(15(24)18-5)21-17(26)14(8-6-7-9-19-13(4)27)22-16(25)11(2)20-12(3)23/h10-11,14H,6-9H2,1-5H3,(H,18,24)(H,19,27)(H,20,23)(H,21,26)(H,22,25)/t10-,11-,14-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT2 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257347 (Ala-Asp-Lys(epsilon-thioAc)Thr-Ile | CHEMBL523676) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N6O9S/c1-6-12(2)19(25(39)40)30-24(38)20(14(4)32)31-22(36)16(9-7-8-10-27-15(5)41)28-23(37)17(11-18(33)34)29-21(35)13(3)26/h12-14,16-17,19-20,32H,6-11,26H2,1-5H3,(H,27,41)(H,28,37)(H,29,35)(H,30,38)(H,31,36)(H,33,34)(H,39,40)/t12-,13-,14+,16-,17-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50326779 ((S)-2-((S)-2-((S)-2-Acetamidopropanamido)-6-(3-met...) Show SMILES CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5S/c1-11(2)10-16(29)20-9-7-6-8-15(18(26)22-13(4)19(27)28)23-17(25)12(3)21-14(5)24/h11-13,15H,6-10H2,1-5H3,(H,20,29)(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t12-,13-,15-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of GST-SIRT2 after 1 hr by Fluor de Lys fluorescence assay				Bioorg Med Chem 18: 5616-25 (2010) Article DOI: 10.1016/j.bmc.2010.06.035 BindingDB Entry DOI: 10.7270/Q2GT5NDC
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50257407 (CHEMBL504310 | His-Lys-Lys(epsilon-thioAc)Ala-Met) Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C28H49N9O6S2/c1-17(24(38)37-23(28(42)43)10-13-45-3)34-26(40)21(9-5-7-12-32-18(2)44)36-27(41)22(8-4-6-11-29)35-25(39)20(30)14-19-15-31-16-33-19/h15-17,20-23H,4-14,29-30H2,1-3H3,(H,31,33)(H,32,44)(H,34,40)(H,35,39)(H,36,41)(H,37,38)(H,42,43)/t17-,20-,21-,22-,23-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 (unknown origin) preincubated for 5 mins before addition of substrate measured after 3 hrs by fluorescence-based assa...				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50439469 (CHEMBL2417696) Show SMILES CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O6S/c1-20(40)30-15-9-8-14-24(27(36)31-17-26(35)22-12-6-3-7-13-22)32-28(37)25-16-23(34)18-33(25)29(38)39-19-21-10-4-2-5-11-21/h2-7,10-13,23-25,34H,8-9,14-19H2,1H3,(H,30,40)(H,31,36)(H,32,37)/t23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.89E+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 His-tagged SIRT3 using KI179 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
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50355053 (CHEMBL1835312) Show SMILES CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H29N3O4S/c1-18(32)25-15-9-8-14-21(27-24(30)31-17-19-10-4-2-5-11-19)23(29)26-16-22(28)20-12-6-3-7-13-20/h2-7,10-13,21H,8-9,14-17H2,1H3,(H,25,32)(H,26,29)(H,27,30)/t21-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged SIRT2 after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 54: 6456-68 (2011) Article DOI: 10.1021/jm200590k BindingDB Entry DOI: 10.7270/Q2HT2PQ0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395314 (CHEMBL2164014) Show SMILES CCCCCC1CC(=O)c2cc(Cl)cc(Br)c2O1 Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 preincubated for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 55: 7104-13 (2012) Article DOI: 10.1021/jm3005288 BindingDB Entry DOI: 10.7270/Q2VT1T6N
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257288 (CHEMBL452893 | His-Asp-Lys(epsilon-thioAc)Thr-Ile) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C28H46N8O9S/c1-5-14(2)22(28(44)45)35-27(43)23(15(3)37)36-25(41)19(8-6-7-9-31-16(4)46)33-26(42)20(11-21(38)39)34-24(40)18(29)10-17-12-30-13-32-17/h12-15,18-20,22-23,37H,5-11,29H2,1-4H3,(H,30,32)(H,31,46)(H,33,42)(H,34,40)(H,35,43)(H,36,41)(H,38,39)(H,44,45)/t14-,15+,18-,19-,20-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50257237 (Asp-Lys(epsilon-thioAc)-Thr-Ile | CHEMBL493160) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C22H39N5O8S/c1-5-11(2)17(22(34)35)26-21(33)18(12(3)28)27-20(32)15(8-6-7-9-24-13(4)36)25-19(31)14(23)10-16(29)30/h11-12,14-15,17-18,28H,5-10,23H2,1-4H3,(H,24,36)(H,25,31)(H,26,33)(H,27,32)(H,29,30)(H,34,35)/t11-,12+,14-,15-,17-,18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay				J Med Chem 52: 2153-6 (2009) Article DOI: 10.1021/jm801401k BindingDB Entry DOI: 10.7270/Q2M0459T
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50395321 (CHEMBL2164015) Show SMILES CCCCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r| Show InChI InChI=1S/C14H16BrClO2/c1-2-3-4-5-10-8-13(17)11-6-9(16)7-12(15)14(11)18-10/h6-7,10H,2-5,8H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 preincubated for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay				J Med Chem 55: 7104-13 (2012) Article DOI: 10.1021/jm3005288 BindingDB Entry DOI: 10.7270/Q2VT1T6N
					More data for this Ligand-Target Pair

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