Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'bedalov' and Initial = 'a'   

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
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM50239965 (Bromhexine | CHEBI:77032) Show SMILES CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 Show InChI InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420291 (0591-5329 | 4-(Methoxycarbonyl)phenyl thiophene-2-...) Show SMILES COC(=O)c1ccc(OC(=O)c2cccs2)cc1 Show InChI InChI=1S/C13H10O4S/c1-16-12(14)9-4-6-10(7-5-9)17-13(15)11-3-2-8-18-11/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM50022172 ((7-Hydroxy-2-oxo-2H-chromen-4-yl)-acetic acid meth...) Show SMILES COC(=O)Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420294 (8008-1235 | N-[4-(4-chlorophenyl)-3-ethyl-1,3-thia...) Show SMILES CCn1c(csc1=Nc1ccccc1)-c1ccc(Cl)cc1 |w:7.8| Show InChI InChI=1S/C17H15ClN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3/b19-17+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
Transmembrane protease serine 2 (Homo sapiens (Human))	BDBM420292 (4401-0077 | Antidepressant agent 1) Show SMILES CCN1CCn2c3C1CCCc3c1cc(Br)ccc21 Show InChI InChI=1S/C16H19BrN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center					Assay Description To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several c...				Cancer Discov 4: 1310-25 (2014) Article DOI: 10.1158/2159-8290.CD-13-1010 BindingDB Entry DOI: 10.7270/Q2HD7Z13
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50004764 (CHEMBL3233733) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)	PDB UniProtKB/SwissProt 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
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146058 (Benzo[de]isochromene-1,3-dione | CHEMBL316059) Show SMILES O=C1OC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146048 (2,3-Dihydro-1H-naphtho[2,1-b]oxepin-4-one | CHEMBL...) Show SMILES O=C1CCCc2c(O1)ccc1ccccc21 Show InChI InChI=1S/C14H12O2/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)16-14/h1-2,4-5,8-9H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004887 (CHEMBL3233749) Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004795 (CHEMBL3233748) Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12 Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146067 (1,2-Dihydro-benzo[f]thiochromen-3-one | CHEMBL3143...) Show SMILES O=C1CCc2c(S1)ccc1ccccc21 Show InChI InChI=1S/C13H10OS/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004777 (CHEMBL3233742) Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146052 (5-Benzyloxy-1,2-dihydro-benzo[f]chromen-3-one | CH...) Show SMILES O=C1CCc2c(O1)c(OCc1ccccc1)cc1ccccc21 Show InChI InChI=1S/C20H16O3/c21-19-11-10-17-16-9-5-4-8-15(16)12-18(20(17)23-19)22-13-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146063 (2-Isobutyl-1,2-dihydro-benzo[f]chromen-3-one | CHE...) Show SMILES CC(C)CC1Cc2c(OC1=O)ccc1ccccc21 Show InChI InChI=1S/C17H18O2/c1-11(2)9-13-10-15-14-6-4-3-5-12(14)7-8-16(15)19-17(13)18/h3-8,11,13H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146044 (2-Allyl-1,2-dihydro-benzo[f]chromen-3-one | CHEMBL...) Show SMILES C=CCC1Cc2c(OC1=O)ccc1ccccc21 Show InChI InChI=1S/C16H14O2/c1-2-5-12-10-14-13-7-4-3-6-11(13)8-9-15(14)18-16(12)17/h2-4,6-9,12H,1,5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004764 (CHEMBL3233733) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)	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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004765 (CHEMBL3233739) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)	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	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146068 (7-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES COc1cccc2c3CCC(=O)Oc3ccc12 Show InChI InChI=1S/C14H12O3/c1-16-12-4-2-3-9-10(12)5-7-13-11(9)6-8-14(15)17-13/h2-5,7H,6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004764 (CHEMBL3233733) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C27H22N2O2/c1-17-7-9-19(10-8-17)26-24(27(31)29-28-26)16-23-22-13-11-20(18-5-3-2-4-6-18)15-21(22)12-14-25(23)30/h2-15,30H,16H2,1H3,(H2,28,29,31)	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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146062 (9-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES COc1ccc2ccc3OC(=O)CCc3c2c1 Show InChI InChI=1S/C14H12O3/c1-16-10-4-2-9-3-6-13-11(12(9)8-10)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146046 (1-Phenyl-1,2-dihydro-benzo[f]chromen-3-one | 1-phe...) Show SMILES O=C1CC(c2ccccc2)c2c(O1)ccc1ccccc21 Show InChI InChI=1S/C19H14O2/c20-18-12-16(13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)10-11-17(19)21-18/h1-11,16H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146069 (6-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES COc1cc2OC(=O)CCc2c2ccccc12 Show InChI InChI=1S/C14H12O3/c1-16-12-8-13-11(6-7-14(15)17-13)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM29040 (cambinol) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146054 (2-Methyl-1,2-dihydro-benzo[f]chromen-3-one | CHEMB...) Show SMILES CC1Cc2c(OC1=O)ccc1ccccc21 Show InChI InChI=1S/C14H12O2/c1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)16-14(9)15/h2-7,9H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM29040 (cambinol) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146060 (1H-Naphtho[2,1-b]furan-2-one | CHEMBL314020) Show SMILES O=C1Cc2c(O1)ccc1ccccc21 Show InChI InChI=1S/C12H8O2/c13-12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-6H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146047 (3,4-Dihydro-benzo[h]chromen-2-one | CHEMBL91528) Show SMILES O=C1CCc2ccc3ccccc3c2O1 Show InChI InChI=1S/C13H10O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-6H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004795 (CHEMBL3233748) Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12 Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)	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	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146050 (3,4,9,10-Tetrahydro-1,7-dioxa-chrysene-2,8-dione |...) Show SMILES O=C1CCc2c(O1)ccc1c3CCC(=O)Oc3ccc21 Show InChI InChI=1S/C16H12O4/c17-15-8-4-12-10-2-6-14-11(3-7-16(18)20-14)9(10)1-5-13(12)19-15/h1-2,5-6H,3-4,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146064 (8-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES COc1ccc2c3CCC(=O)Oc3ccc2c1 Show InChI InChI=1S/C14H12O3/c1-16-10-3-4-11-9(8-10)2-6-13-12(11)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM29590 (1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one | CHEMBL8...) Show SMILES O=C1CCc2c(O1)ccc1ccccc21 Show InChI InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146059 (3,4-Dihydro-2H-phenanthren-1-one | CHEMBL88130) Show SMILES O=C1CCCc2c1ccc1ccccc21 Show InChI InChI=1S/C14H12O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-2,4-5,8-9H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146053 (Benzo[f]chromen-3-one | CHEMBL424248) Show SMILES O=c1ccc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C13H8O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146061 (CHEMBL89585 | {2-[2-(3-Oxo-2,3-dihydro-1H-benzo[f]...) Show SMILES CC(C)(C)OC(=O)NCCOCCOc1cc2ccccc2c2CCC(=O)Oc12 Show InChI InChI=1S/C22H27NO6/c1-22(2,3)29-21(25)23-10-11-26-12-13-27-18-14-15-6-4-5-7-16(15)17-8-9-19(24)28-20(17)18/h4-7,14H,8-13H2,1-3H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146049 (3,4,9,10-Tetrahydro-1,12-dioxa-triphenylene-2,11-d...) Show SMILES O=C1CCc2c(O1)c1OC(=O)CCc1c1ccccc21 Show InChI InChI=1S/C16H12O4/c17-13-7-5-11-9-3-1-2-4-10(9)12-6-8-14(18)20-16(12)15(11)19-13/h1-4H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146066 (3-(2-Hydroxy-naphthalen-1-yl)-propionic acid methy...) Show SMILES COC(=O)CCc1c(O)ccc2ccccc12 Show InChI InChI=1S/C14H14O3/c1-17-14(16)9-7-12-11-5-3-2-4-10(11)6-8-13(12)15/h2-6,8,15H,7,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146056 (5-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES Oc1cc2ccccc2c2CCC(=O)Oc12 Show InChI InChI=1S/C13H10O3/c14-11-7-8-3-1-2-4-9(8)10-5-6-12(15)16-13(10)11/h1-4,7,14H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50004795 (CHEMBL3233748) Show SMILES CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12 Show InChI InChI=1S/C22H20ClN3O2/c1-12(2)13-3-5-14(6-4-13)21-17(22(28)26-25-21)11-16-15-7-10-20(23)24-18(15)8-9-19(16)27/h3-10,12,27H,11H2,1-2H3,(H2,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146070 (1,2-benzodihydropyrone | 2-chromanone | 2-hydroxyd...) Show SMILES O=C1CCc2ccccc2O1 Show InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146057 (CHEMBL313262 | N,N-Diethyl-3-(2-hydroxy-naphthalen...) Show SMILES CCN(CC)C(=O)CCc1c(O)ccc2ccccc12 Show InChI InChI=1S/C17H21NO2/c1-3-18(4-2)17(20)12-10-15-14-8-6-5-7-13(14)9-11-16(15)19/h5-9,11,19H,3-4,10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146065 (3-(2-Hydroxy-naphthalen-1-yl)-propionamide | CHEMB...) Show SMILES NC(=O)CCc1c(O)ccc2ccccc12 Show InChI InChI=1S/C13H13NO2/c14-13(16)8-6-11-10-4-2-1-3-9(10)5-7-12(11)15/h1-5,7,15H,6,8H2,(H2,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146055 (5-Methoxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES COc1cc2ccccc2c2CCC(=O)Oc12 Show InChI InChI=1S/C14H12O3/c1-16-12-8-9-4-2-3-5-10(9)11-6-7-13(15)17-14(11)12/h2-5,8H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146051 (6-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES Oc1cc2OC(=O)CCc2c2ccccc12 Show InChI InChI=1S/C13H10O3/c14-11-7-12-10(5-6-13(15)16-12)8-3-1-2-4-9(8)11/h1-4,7,14H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent histone deacetylase SIR2 (Saccharomyces cerevisiae)	BDBM50146045 (9-Hydroxy-1,2-dihydro-benzo[f]chromen-3-one | CHEM...) Show SMILES Oc1ccc2ccc3OC(=O)CCc3c2c1 Show InChI InChI=1S/C13H10O3/c14-9-3-1-8-2-5-12-10(11(8)7-9)4-6-13(15)16-12/h1-3,5,7,14H,4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates				J Med Chem 47: 2635-44 (2004) Article DOI: 10.1021/jm030473r BindingDB Entry DOI: 10.7270/Q228071B
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50004765 (CHEMBL3233739) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM29040 (cambinol) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50004887 (CHEMBL3233749) Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50004887 (CHEMBL3233749) Show SMILES Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H16BrNO3/c1-12-2-4-13(5-3-12)20-18(21(25)26-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)24/h2-10,23-24H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT3 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004777 (CHEMBL3233742) Show SMILES COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O Show InChI InChI=1S/C22H20N2O3/c1-13-7-9-14(10-8-13)20-18(22(26)24-23-20)12-17-16-6-4-3-5-15(16)11-19(27-2)21(17)25/h3-11,25H,12H2,1-2H3,(H2,23,24,26)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50004765 (CHEMBL3233739) Show SMILES Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12 Show InChI InChI=1S/C21H17BrN2O2/c1-12-2-4-13(5-3-12)20-18(21(26)24-23-20)11-17-16-8-7-15(22)10-14(16)6-9-19(17)25/h2-10,25H,11H2,1H3,(H2,23,24,26)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) by luminescence assay				J Med Chem 57: 3283-94 (2014) Article DOI: 10.1021/jm4018064 BindingDB Entry DOI: 10.7270/Q28G8N7Z
					More data for this Ligand-Target Pair

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