Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'jin' and Initial = 'hx'   

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-2 (Homo sapiens (Human))	BDBM50070588 (CHEMBL3408821) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070588 (CHEMBL3408821) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					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	330	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070588 (CHEMBL3408821) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3	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
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070590 (CHEMBL3408819) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C27H35N3O3S/c1-3-4-5-6-7-8-16-30-25-14-11-21(20-9-12-22(13-10-20)34(2,32)33)18-23(25)24-19-29(27(28)31)17-15-26(24)30/h9-14,18H,3-8,15-17,19H2,1-2H3,(H2,28,31)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070589 (CHEMBL3408820) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-17-29-26-15-12-22(21-10-13-23(14-11-21)32(3,30)31)19-24(26)25-20-28(2)18-16-27(25)29/h10-15,19H,4-9,16-18,20H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070582 (CHEMBL3408829) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C27H36N2/c1-4-5-6-7-8-9-16-29-26-14-13-23(22-12-10-11-21(2)18-22)19-24(26)25-20-28(3)17-15-27(25)29/h10-14,18-19H,4-9,15-17,20H2,1-3H3	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070584 (CHEMBL3408826) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(N)=O Show InChI InChI=1S/C27H35N3O/c1-3-4-5-6-7-8-15-30-25-13-12-22(21-11-9-10-20(2)17-21)18-23(25)24-19-29(27(28)31)16-14-26(24)30/h9-13,17-18H,3-8,14-16,19H2,1-2H3,(H2,28,31)	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070581 (CHEMBL3408830) Show SMILES CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C33H40N2/c1-3-4-5-6-7-11-20-35-32-18-17-29(28-16-12-13-26(2)22-28)23-30(32)31-25-34(21-19-33(31)35)24-27-14-9-8-10-15-27/h8-10,12-18,22-23H,3-7,11,19-21,24-25H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070580 (CHEMBL3408831) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C26H34N2/c1-3-4-5-6-7-8-16-28-25-13-12-22(21-11-9-10-20(2)17-21)18-23(25)24-19-27-15-14-26(24)28/h9-13,17-18,27H,3-8,14-16,19H2,1-2H3	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	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070583 (CHEMBL3408827) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(C)C Show InChI InChI=1S/C29H40N2/c1-5-6-7-8-9-10-17-31-28-15-14-25(24-13-11-12-23(4)19-24)20-26(28)27-21-30(22(2)3)18-16-29(27)31/h11-15,19-20,22H,5-10,16-18,21H2,1-4H3	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	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070591 (CHEMBL3408815) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cnc(N)nc1 Show InChI InChI=1S/C23H31N5/c1-2-3-4-5-6-7-12-28-21-9-8-17(18-14-26-23(24)27-15-18)13-19(21)20-16-25-11-10-22(20)28/h8-9,13-15,25H,2-7,10-12,16H2,1H3,(H2,24,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50216689 (2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070592 (CHEMBL3408814) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(N)=O Show InChI InChI=1S/C24H32N6O/c1-2-3-4-5-6-7-11-30-21-9-8-17(18-14-27-23(25)28-15-18)13-19(21)20-16-29(24(26)31)12-10-22(20)30/h8-9,13-15H,2-7,10-12,16H2,1H3,(H2,26,31)(H2,25,27,28)	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	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070588 (CHEMBL3408821) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H34N2O2S/c1-3-4-5-6-7-8-17-28-25-14-11-21(18-23(25)24-19-27-16-15-26(24)28)20-9-12-22(13-10-20)31(2,29)30/h9-14,18,27H,3-8,15-17,19H2,1-2H3	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	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070593 (CHEMBL3408833) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cnc(N)nc1 Show InChI InChI=1S/C24H33N5/c1-3-4-5-6-7-8-12-29-22-10-9-18(19-15-26-24(25)27-16-19)14-20(22)21-17-28(2)13-11-23(21)29/h9-10,14-16H,3-8,11-13,17H2,1-2H3,(H2,25,26,27)	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	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070602 (CHEMBL3408817) Show SMILES CCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H26N2O2S/c1-3-4-13-24-21-10-7-17(14-19(21)20-15-23-12-11-22(20)24)16-5-8-18(9-6-16)27(2,25)26/h5-10,14,23H,3-4,11-13,15H2,1-2H3	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070580 (CHEMBL3408831) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C26H34N2/c1-3-4-5-6-7-8-16-28-25-13-12-22(21-11-9-10-20(2)17-21)18-23(25)24-19-27-15-14-26(24)28/h9-13,17-18,27H,3-8,14-16,19H2,1-2H3	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070594 (CHEMBL3408980) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(C)C Show InChI InChI=1S/C26H37N5/c1-4-5-6-7-8-9-13-31-24-11-10-20(21-16-28-26(27)29-17-21)15-22(24)23-18-30(19(2)3)14-12-25(23)31/h10-11,15-17,19H,4-9,12-14,18H2,1-3H3,(H2,27,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070582 (CHEMBL3408829) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C27H36N2/c1-4-5-6-7-8-9-16-29-26-14-13-23(22-12-10-11-21(2)18-22)19-24(26)25-20-28(3)17-15-27(25)29/h10-14,18-19H,4-9,15-17,20H2,1-3H3	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070583 (CHEMBL3408827) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(C)C Show InChI InChI=1S/C29H40N2/c1-5-6-7-8-9-10-17-31-28-15-14-25(24-13-11-12-23(4)19-24)20-26(28)27-21-30(22(2)3)18-16-29(27)31/h11-15,19-20,22H,5-10,16-18,21H2,1-4H3	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070590 (CHEMBL3408819) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C27H35N3O3S/c1-3-4-5-6-7-8-16-30-25-14-11-21(20-9-12-22(13-10-20)34(2,32)33)18-23(25)24-19-29(27(28)31)17-15-26(24)30/h9-14,18H,3-8,15-17,19H2,1-2H3,(H2,28,31)	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	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070591 (CHEMBL3408815) Show SMILES CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cnc(N)nc1 Show InChI InChI=1S/C23H31N5/c1-2-3-4-5-6-7-12-28-21-9-8-17(18-14-26-23(24)27-15-18)13-19(21)20-16-25-11-10-22(20)28/h8-9,13-15,25H,2-7,10-12,16H2,1H3,(H2,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070594 (CHEMBL3408980) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(C)C Show InChI InChI=1S/C26H37N5/c1-4-5-6-7-8-9-13-31-24-11-10-20(21-16-28-26(27)29-17-21)15-22(24)23-18-30(19(2)3)14-12-25(23)31/h10-11,15-17,19H,4-9,12-14,18H2,1-3H3,(H2,27,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070592 (CHEMBL3408814) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(N)=O Show InChI InChI=1S/C24H32N6O/c1-2-3-4-5-6-7-11-30-21-9-8-17(18-14-27-23(25)28-15-18)13-19(21)20-16-29(24(26)31)12-10-22(20)30/h8-9,13-15H,2-7,10-12,16H2,1H3,(H2,26,31)(H2,25,27,28)	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	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070586 (CHEMBL3408824) Show SMILES CN1CCc2[nH]c3ccc(cc3c2C1)-c1cccc(C)c1 Show InChI InChI=1S/C19H20N2/c1-13-4-3-5-14(10-13)15-6-7-18-16(11-15)17-12-21(2)9-8-19(17)20-18/h3-7,10-11,20H,8-9,12H2,1-2H3	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	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070587 (CHEMBL3408823) Show SMILES CCCCn1c2CCNCc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C22H26N2/c1-3-4-12-24-21-9-8-18(17-7-5-6-16(2)13-17)14-19(21)20-15-23-11-10-22(20)24/h5-9,13-14,23H,3-4,10-12,15H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070593 (CHEMBL3408833) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cnc(N)nc1 Show InChI InChI=1S/C24H33N5/c1-3-4-5-6-7-8-12-29-22-10-9-18(19-15-26-24(25)27-16-19)14-20(22)21-17-28(2)13-11-23(21)29/h9-10,14-16H,3-8,11-13,17H2,1-2H3,(H2,25,26,27)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070585 (CHEMBL3408825) Show SMILES Cc1cccc(c1)-c1ccc2[nH]c3CCNCc3c2c1 Show InChI InChI=1S/C18H18N2/c1-12-3-2-4-13(9-12)14-5-6-17-15(10-14)16-11-19-8-7-18(16)20-17/h2-6,9-10,19-20H,7-8,11H2,1H3	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070581 (CHEMBL3408830) Show SMILES CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1 Show InChI InChI=1S/C33H40N2/c1-3-4-5-6-7-11-20-35-32-18-17-29(28-16-12-13-26(2)22-28)23-30(32)31-25-34(21-19-33(31)35)24-27-14-9-8-10-15-27/h8-10,12-18,22-23H,3-7,11,19-21,24-25H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070584 (CHEMBL3408826) Show SMILES CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(N)=O Show InChI InChI=1S/C27H35N3O/c1-3-4-5-6-7-8-15-30-25-13-12-22(21-11-9-10-20(2)17-21)18-23(25)24-19-29(27(28)31)16-14-26(24)30/h9-13,17-18H,3-8,14-16,19H2,1-2H3,(H2,28,31)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070604 (CHEMBL3408984) Show SMILES CCCCn1c2CCNCc2c2cc(ccc12)-c1cnc(N)nc1 Show InChI InChI=1S/C19H23N5/c1-2-3-8-24-17-5-4-13(14-10-22-19(20)23-11-14)9-15(17)16-12-21-7-6-18(16)24/h4-5,9-11,21H,2-3,6-8,12H2,1H3,(H2,20,22,23)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070601 (CHEMBL3408818) Show SMILES CN1CCc2[nH]c3ccc(cc3c2C1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H20N2O2S/c1-21-10-9-19-17(12-21)16-11-14(5-8-18(16)20-19)13-3-6-15(7-4-13)24(2,22)23/h3-8,11,20H,9-10,12H2,1-2H3	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	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50070603 (CHEMBL3408983) Show SMILES CN1CCc2[nH]c3ccc(cc3c2C1)-c1cnc(N)nc1 Show InChI InChI=1S/C16H17N5/c1-21-5-4-15-13(9-21)12-6-10(2-3-14(12)20-15)11-7-18-16(17)19-8-11/h2-3,6-8,20H,4-5,9H2,1H3,(H2,17,18,19)	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	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50070589 (CHEMBL3408820) Show SMILES CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-17-29-26-15-12-22(21-10-13-23(14-11-21)32(3,30)31)19-24(26)25-20-28(2)18-16-27(25)29/h10-15,19H,4-9,16-18,20H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...				Eur J Med Chem 92: 145-55 (2015) Article DOI: 10.1016/j.ejmech.2014.12.027 BindingDB Entry DOI: 10.7270/Q270834V
					More data for this Ligand-Target Pair