Compile Data Set for Download or QSAR

Found 59 hits of ec50 for UniProtKB: Q96EB6   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50228363 (CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50228363 (CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)	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	n/a	n/a	160	n/a	n/a	n/a	n/a
Sirtris Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay				Nature 450: 712-716 (2007) Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50228363 (CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)	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	n/a	n/a	160	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396047 (CHEMBL482551) Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 Show InChI InChI=1S/C22H15N5O/c28-22(20-13-23-16-9-3-4-10-17(16)24-20)27-15-8-2-1-7-14(15)21-25-18-11-5-6-12-19(18)26-21/h1-13H,(H,25,26)(H,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	n/a	n/a	300	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50376978 (CHEMBL403308 | SRT-2183) Show SMILES O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1 Show InChI InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Sirtris Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay				Nature 450: 712-716 (2007) Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396046 (CHEMBL482552) Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 Show InChI InChI=1S/C27H25N7O/c35-27(25-16-29-21-5-1-2-6-22(21)30-25)33-20-10-9-18(17-34-13-11-28-12-14-34)15-19(20)26-31-23-7-3-4-8-24(23)32-26/h1-10,15-16,28H,11-14,17H2,(H,31,32)(H,33,35)	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	n/a	n/a	400	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50540049 (CHEMBL4216938) Show SMILES Cn1nc(-c2cnc3ccccc3c2)c2cc(NCc3cc(F)ccc3S(C)(=O)=O)ccc12 Show InChI InChI=1S/C25H21FN4O2S/c1-30-23-9-8-20(27-14-17-12-19(26)7-10-24(17)33(2,31)32)13-21(23)25(29-30)18-11-16-5-3-4-6-22(16)28-15-18/h3-13,15,27H,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019) Article DOI: 10.1016/j.ejmech.2018.10.028 BindingDB Entry DOI: 10.7270/Q2W380VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428978 (CHEMBL522606) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1 Show InChI InChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31)	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	n/a	n/a	610	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50540050 (CHEMBL4646804) Show SMILES Cn1nc(C(=O)N[C@H]2CC[C@H](O)CC2)c2cc(NCc3cc(F)c(F)cc3S(C)(=O)=O)ccc12 |r,wU:10.10,wD:7.6,(11.17,-18.21,;11.57,-16.73,;10.66,-15.47,;11.57,-14.22,;11.17,-12.73,;12.26,-11.64,;9.69,-12.33,;8.59,-13.42,;7.1,-13.02,;6.02,-14.11,;6.41,-15.6,;5.33,-16.69,;7.9,-16,;8.99,-14.91,;13.04,-14.7,;14.37,-13.93,;15.7,-14.69,;17.03,-13.93,;18.37,-14.69,;19.71,-13.93,;21.05,-14.7,;22.37,-13.92,;23.7,-14.7,;22.37,-12.39,;23.7,-11.62,;21.03,-11.62,;19.71,-12.39,;18.37,-11.62,;18.37,-10.08,;16.83,-11.62,;17.6,-12.95,;15.7,-16.24,;14.38,-17.01,;13.04,-16.25,)| Show InChI InChI=1S/C23H26F2N4O4S/c1-29-20-8-5-15(26-12-13-9-18(24)19(25)11-21(13)34(2,32)33)10-17(20)22(28-29)23(31)27-14-3-6-16(30)7-4-14/h5,8-11,14,16,26,30H,3-4,6-7,12H2,1-2H3,(H,27,31)/t14-,16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019) Article DOI: 10.1016/j.ejmech.2018.10.028 BindingDB Entry DOI: 10.7270/Q2W380VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428980 (CHEMBL491082) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33)	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	n/a	n/a	680	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429007 (CHEMBL2333667) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2C(F)(F)F)c(O)c1Br Show InChI InChI=1S/C21H13Br2F3N2O3/c22-16-9-13(18(29)17(23)19(16)30)10-27-28-20(31)12-7-5-11(6-8-12)14-3-1-2-4-15(14)21(24,25)26/h1-10,29-30H,(H,28,31)/b27-10+	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	n/a	n/a	900	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396049 (CHEMBL473881) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nc2ncccc2o1 Show InChI InChI=1S/C21H17N3O4/c1-26-16-10-9-13(12-18(16)27-2)20(25)23-15-7-4-3-6-14(15)21-24-19-17(28-21)8-5-11-22-19/h3-12H,1-2H3,(H,23,25)	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	n/a	n/a	900	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428990 (CHEMBL2333664) Show SMILES COc1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O Show InChI InChI=1S/C19H14Br2N2O4/c1-27-14-5-4-10-6-12(3-2-11(10)7-14)19(26)23-22-9-13-8-15(20)18(25)16(21)17(13)24/h2-9,24-25H,1H3,(H,23,26)/b22-9+	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	n/a	n/a	900	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428981 (CHEMBL490091) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H24N6OS/c33-25(23-10-9-18-5-1-3-7-21(18)28-23)29-22-8-4-2-6-20(22)24-16-32-19(17-34-26(32)30-24)15-31-13-11-27-12-14-31/h1-10,16-17,27H,11-15H2,(H,29,33)	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	n/a	n/a	990	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193077 (CHEMBL3941013) Show SMILES Nc1c(c2nc3ccccc3nc2n1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H15FN4O2S/c23-14-10-12-15(13-11-14)27-21(24)20(30(28,29)16-6-2-1-3-7-16)19-22(27)26-18-9-5-4-8-17(18)25-19/h1-13H,24H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019) Article DOI: 10.1016/j.ejmech.2018.10.028 BindingDB Entry DOI: 10.7270/Q2W380VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193048 (CHEMBL3934191) Show SMILES CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)| Show InChI InChI=1S/C24H25N5O2/c1-2-15-8-3-6-12-19(15)29-22(25)20(24(30)26-14-16-9-7-13-31-16)21-23(29)28-18-11-5-4-10-17(18)27-21/h3-6,8,10-12,16H,2,7,9,13-14,25H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019) Article DOI: 10.1016/j.ejmech.2018.10.028 BindingDB Entry DOI: 10.7270/Q2W380VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193048 (CHEMBL3934191) Show SMILES CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)| Show InChI InChI=1S/C24H25N5O2/c1-2-15-8-3-6-12-19(15)29-22(25)20(24(30)26-14-16-9-7-13-31-16)21-23(29)28-18-11-5-4-10-17(18)27-21/h3-6,8,10-12,16H,2,7,9,13-14,25H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Activation of recombinant human SIRT1 assessed as increase in deacetylation of Fluor de Lys-SIRT1-specific substrate after 2 hrs by HTS assay				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193072 (CHEMBL3906219) Show SMILES COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of sirtuin 1 (unknown origin)				Eur J Med Chem 161: 48-77 (2019) Article DOI: 10.1016/j.ejmech.2018.10.028 BindingDB Entry DOI: 10.7270/Q2W380VZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193077 (CHEMBL3941013) Show SMILES Nc1c(c2nc3ccccc3nc2n1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H15FN4O2S/c23-14-10-12-15(13-11-14)27-21(24)20(30(28,29)16-6-2-1-3-7-16)19-22(27)26-18-9-5-4-8-17(18)25-19/h1-13H,24H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Activation of recombinant human SIRT1 assessed as increase in deacetylation of Fluor de Lys-SIRT1-specific substrate after 2 hrs by HTS assay				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50193072 (CHEMBL3906219) Show SMILES COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
Guru Jambheshwar University of Science and Technology Curated by ChEMBL					Assay Description Activation of recombinant human SIRT1 assessed as increase in deacetylation of Fluor de Lys-SIRT1-specific substrate after 2 hrs by HTS assay				Eur J Med Chem 119: 45-69 (2016) Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31930 (carbohydrazide derivative, 3m) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428999 (CHEMBL2333654) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccncc2)c(O)c1Br Show InChI InChI=1S/C19H13Br2N3O3/c20-15-9-14(17(25)16(21)18(15)26)10-23-24-19(27)13-3-1-11(2-4-13)12-5-7-22-8-6-12/h1-10,25-26H,(H,24,27)/b23-10+	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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31962 (carbohydrazide derivative, 5e) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,25-26H,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428982 (CHEMBL2333649) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1 Show InChI InChI=1S/C21H21N7OS/c29-20(18-5-6-23-14-24-18)25-17-4-2-1-3-16(17)19-12-28-15(13-30-21(28)26-19)11-27-9-7-22-8-10-27/h1-6,12-14,22H,7-11H2,(H,25,29)	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	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428988 (CHEMBL2333666) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+	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	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50228364 (3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)	PDB NCI pathway Reactome 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	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428998 (CHEMBL2333655) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2cccnc2)c(O)c1Br Show InChI InChI=1S/C19H13Br2N3O3/c20-15-8-14(17(25)16(21)18(15)26)10-23-24-19(27)12-5-3-11(4-6-12)13-2-1-7-22-9-13/h1-10,25-26H,(H,24,27)/b23-10+	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	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429000 (CHEMBL2333653) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccco2)c(O)c1Br Show InChI InChI=1S/C18H12Br2N2O4/c19-13-8-12(16(23)15(20)17(13)24)9-21-22-18(25)11-5-3-10(4-6-11)14-2-1-7-26-14/h1-9,23-24H,(H,22,25)/b21-9+	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	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428997 (CHEMBL2333656) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccn2)c(O)c1Br Show InChI InChI=1S/C19H13Br2N3O3/c20-14-9-13(17(25)16(21)18(14)26)10-23-24-19(27)12-6-4-11(5-7-12)15-3-1-2-8-22-15/h1-10,25-26H,(H,24,27)/b23-10+	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	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428992 (CHEMBL2333662) Show SMILES CS(=O)(=O)c1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O Show InChI InChI=1S/C19H14Br2N2O5S/c1-29(27,28)14-5-4-10-6-12(3-2-11(10)7-14)19(26)23-22-9-13-8-15(20)18(25)16(21)17(13)24/h2-9,24-25H,1H3,(H,23,26)/b22-9+	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	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428989 (CHEMBL2333665) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccco2)c(O)c1Br Show InChI InChI=1S/C22H14Br2N2O4/c23-17-10-16(20(27)19(24)21(17)28)11-25-26-22(29)15-6-4-12-8-14(5-3-13(12)9-15)18-2-1-7-30-18/h1-11,27-28H,(H,26,29)/b25-11+	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	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31967 (carbohydrazide derivative, 5j) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C18H11Br3N2O3/c19-13-4-3-9-5-11(2-1-10(9)6-13)18(26)23-22-8-12-7-14(20)17(25)15(21)16(12)24/h1-8,24-25H,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50228364 (3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)	PDB NCI pathway Reactome 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	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Sirtris Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay				Nature 450: 712-716 (2007) Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429005 (CHEMBL2333669) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccc3OCOc3c2)c(O)c1Br Show InChI InChI=1S/C21H14Br2N2O5/c22-15-7-14(19(26)18(23)20(15)27)9-24-25-21(28)12-3-1-11(2-4-12)13-5-6-16-17(8-13)30-10-29-16/h1-9,26-27H,10H2,(H,25,28)/b24-9+	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	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428985 (CHEMBL490880) Show SMILES COc1cccc(c1)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429006 (CHEMBL2333668) Show SMILES Oc1ccc(cc1-c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O)C#N Show InChI InChI=1S/C21H13Br2N3O4/c22-16-8-14(19(28)18(23)20(16)29)10-25-26-21(30)13-4-2-12(3-5-13)15-7-11(9-24)1-6-17(15)27/h1-8,10,27-29H,(H,26,30)/b25-10+	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	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428991 (CHEMBL2333663) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)C#N)c(O)c1Br Show InChI InChI=1S/C19H11Br2N3O3/c20-15-7-14(17(25)16(21)18(15)26)9-23-24-19(27)13-4-3-11-5-10(8-22)1-2-12(11)6-13/h1-7,9,25-26H,(H,24,27)/b23-9+	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	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396048 (CHEMBL483942) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccccc1-c1nc2ncccc2o1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h3-13H,1-2H3,(H,23,26)	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	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31965 (carbohydrazide derivative, 5h) Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17| Show InChI InChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31963 (carbohydrazide derivative, 5f) Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br |w:6.5| Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396051 (CHEMBL470835) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1 Show InChI InChI=1S/C21H17N3O4/c1-26-16-9-8-13(12-18(16)27-2)20(25)23-15-6-3-5-14(11-15)21-24-19-17(28-21)7-4-10-22-19/h3-12H,1-2H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428977 (CHEMBL524124) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2occc2c1 Show InChI InChI=1S/C25H23N5O2S/c31-24(18-5-6-23-17(13-18)7-12-32-23)27-21-4-2-1-3-20(21)22-15-30-19(16-33-25(30)28-22)14-29-10-8-26-9-11-29/h1-7,12-13,15-16,26H,8-11,14H2,(H,27,31)	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	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM31926 (carbohydrazide derivative, 3i) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br Show InChI InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428993 (CHEMBL2333661) Show SMILES COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc2cc(Br)ccc2c1 Show InChI InChI=1S/C19H13Br3N2O3/c1-27-18-13(8-15(21)17(25)16(18)22)9-23-24-19(26)12-3-2-11-7-14(20)5-4-10(11)6-12/h2-9,25H,1H3,(H,24,26)/b23-9+	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	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428996 (CHEMBL2333657) Show SMILES Cc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O Show InChI InChI=1S/C15H12Br2N2O3/c1-8-2-4-9(5-3-8)15(22)19-18-7-10-6-11(16)14(21)12(17)13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+	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	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429003 (CHEMBL2333650) Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1 Show InChI InChI=1S/C20H16N2O3/c23-18-11-10-17(19(24)12-18)13-21-22-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23-24H,(H,22,25)/b21-13+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428986 (CHEMBL489692) Show SMILES O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C24H25N5OS/c30-23(14-18-6-2-1-3-7-18)26-21-9-5-4-8-20(21)22-16-29-19(17-31-24(29)27-22)15-28-12-10-25-11-13-28/h1-9,16-17,25H,10-15H2,(H,26,30)	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	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429001 (CHEMBL2333652) Show SMILES COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H16Br2N2O3/c1-28-20-16(11-17(22)19(26)18(20)23)12-24-25-21(27)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,26H,1H3,(H,25,27)/b24-12+	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	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50429004 (CHEMBL2333670) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccc(c2)-c2ccccc2)c(O)c1Br Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,25-26H,(H,24,27)/b23-11+	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	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50428995 (CHEMBL2333658) Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br Show InChI InChI=1S/C15H9Br2F3N2O3/c16-10-5-8(12(23)11(17)13(10)24)6-21-22-14(25)7-1-3-9(4-2-7)15(18,19)20/h1-6,23-24H,(H,22,25)/b21-6+	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	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>

Jump to: