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PubMed code 21306905

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50346538
PNG
(CHEMBL1797725)
Show SMILES O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H16O3/c25-23(18-10-9-15-5-1-2-7-17(15)13-18)21-14-20-19-8-4-3-6-16(19)11-12-22(20)27-24(21)26/h1-13,21H,14H2
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50309830
PNG
(2-(2-chlorobenzoyl)-1H-benzo[f]chromen-3(2H)-one |...)
Show SMILES Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C20H13ClO3/c21-17-8-4-3-7-14(17)19(22)16-11-15-13-6-2-1-5-12(13)9-10-18(15)24-20(16)23/h1-10,16H,11H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50346540
PNG
(CHEMBL1797726)
Show SMILES O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H18O3/c27-25(20-12-10-18(11-13-20)17-6-2-1-3-7-17)23-16-22-21-9-5-4-8-19(21)14-15-24(22)29-26(23)28/h1-15,23H,16H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50346536
PNG
(CHEMBL1797739)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O2S/c28-22-12-11-16-6-3-4-8-19(16)20(22)14-21-23(26-25(30)27-24(21)29)18-10-9-15-5-1-2-7-17(15)13-18/h1-13,28H,14H2,(H2,26,27,29,30)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50346537
PNG
(CHEMBL1797748)
Show SMILES Oc1ccc2ccccc2c1Cc1c(CCc2ccccc2)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C23H20N2O2S/c26-21-13-11-16-8-4-5-9-17(16)18(21)14-19-20(24-23(28)25-22(19)27)12-10-15-6-2-1-3-7-15/h1-9,11,13,26H,10,12,14H2,(H2,24,25,27,28)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM29040
PNG
(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)
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n/an/a 4.07E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50346536
PNG
(CHEMBL1797739)
Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H18N2O2S/c28-22-12-11-16-6-3-4-8-19(16)20(22)14-21-23(26-25(30)27-24(21)29)18-10-9-15-5-1-2-7-17(15)13-18/h1-13,28H,14H2,(H2,26,27,29,30)
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n/an/a 4.99E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50346537
PNG
(CHEMBL1797748)
Show SMILES Oc1ccc2ccccc2c1Cc1c(CCc2ccccc2)[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C23H20N2O2S/c26-21-13-11-16-8-4-5-9-17(16)18(21)14-19-20(24-23(28)25-22(19)27)12-10-15-6-2-1-3-7-15/h1-9,11,13,26H,10,12,14H2,(H2,24,25,27,28)
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n/an/a 5.08E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM29040
PNG
(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)
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n/an/a 5.79E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50309830
PNG
(2-(2-chlorobenzoyl)-1H-benzo[f]chromen-3(2H)-one |...)
Show SMILES Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
Show InChI InChI=1S/C20H13ClO3/c21-17-8-4-3-7-14(17)19(22)16-11-15-13-6-2-1-5-12(13)9-10-18(15)24-20(16)23/h1-10,16H,11H2
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n/an/a 8.98E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50346539
PNG
(CHEMBL1797737)
Show SMILES O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2
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n/an/a 1.12E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50346539
PNG
(CHEMBL1797737)
Show SMILES O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2
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n/an/a 1.79E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 1.91E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay

Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%