Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'esteller' and Initial = 'm'   

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))	BDBM50309829 (1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...) Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+	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	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50309828 ((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...) Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+	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	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400320 (CHEMBL2181509) Show SMILES CC(CS(=O)(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NO3S/c1-19(20-9-3-2-4-10-20)18-31(29,30)26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3/b27-17+	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	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50309827 (CHEMBL597845 | Salermide) Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50309827 (CHEMBL597845 | Salermide) Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400323 (CHEMBL2181516) Show SMILES CC(CSc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NOS/c1-19(20-9-3-2-4-10-20)18-29-26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400322 (CHEMBL2181515) Show SMILES CC(NS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C25H22N2O3S/c1-18(19-8-3-2-4-9-19)27-31(29,30)22-12-7-11-21(16-22)26-17-24-23-13-6-5-10-20(23)14-15-25(24)28/h2-18,27-28H,1H3/b26-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50309828 ((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...) Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400329 (CHEMBL2181512) Show SMILES CC(C(=O)Nc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)26(30)28-24-14-8-7-13-23(24)27-17-22-21-12-6-5-11-20(21)15-16-25(22)29/h2-18,29H,1H3,(H,28,30)/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50309829 (1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...) Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400324 (CHEMBL2181517) Show SMILES CC(CSc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NOS/c1-19(20-7-3-2-4-8-20)18-29-23-14-12-22(13-15-23)27-17-25-24-10-6-5-9-21(24)11-16-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400325 (CHEMBL2181506) Show SMILES CC(CS(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11| Show InChI InChI=1S/C26H23NO2S/c1-19(20-9-3-2-4-10-20)18-30(29)26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400326 (CHEMBL2181507) Show SMILES CC(CS(=O)c1cccc(c1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11| Show InChI InChI=1S/C26H23NO2S/c1-19(20-8-3-2-4-9-20)18-30(29)23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400327 (CHEMBL2181508) Show SMILES CC(CS(=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11| Show InChI InChI=1S/C26H23NO2S/c1-19(20-7-3-2-4-8-20)18-30(29)23-14-12-22(13-15-23)27-17-25-24-10-6-5-9-21(24)11-16-26(25)28/h2-17,19,28H,18H2,1H3	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400320 (CHEMBL2181509) Show SMILES CC(CS(=O)(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NO3S/c1-19(20-9-3-2-4-10-20)18-31(29,30)26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400328 (CHEMBL2181510) Show SMILES CC(CS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H23NO3S/c1-19(20-8-3-2-4-9-20)18-31(29,30)23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+	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	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400321 (CHEMBL2181513) Show SMILES CC(C(=O)Nc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-7-3-2-4-8-19)26(30)28-22-14-12-21(13-15-22)27-17-24-23-10-6-5-9-20(23)11-16-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+	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	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...				J Med Chem 55: 10937-47 (2012) Article DOI: 10.1021/jm3011614 BindingDB Entry DOI: 10.7270/Q28G8MVM
					More data for this Ligand-Target Pair