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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'holtey' and Initial = 'mv'   
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 deacylase sirtuin-6


(Homo sapiens (Human))
BDBM50451276
PNG
(CHEMBL4217987)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14N2O6/c25-14-9-10-18(17(11-14)22(29)30)23-19(26)12-5-7-13(8-6-12)24-20(27)15-3-1-2-4-16(15)21(24)28/h1-11,25H,(H,23,26)(H,29,30)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM50451275
PNG
(CHEMBL4205716)
Show SMILES OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM50451274
PNG
(CHEMBL4206619)
Show SMILES OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6


(Homo sapiens (Human))
BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50451276
PNG
(CHEMBL4217987)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14N2O6/c25-14-9-10-18(17(11-14)22(29)30)23-19(26)12-5-7-13(8-6-12)24-20(27)15-3-1-2-4-16(15)21(24)28/h1-11,25H,(H,23,26)(H,29,30)
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n/an/a 3.33E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50451276
PNG
(CHEMBL4217987)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14N2O6/c25-14-9-10-18(17(11-14)22(29)30)23-19(26)12-5-7-13(8-6-12)24-20(27)15-3-1-2-4-16(15)21(24)28/h1-11,25H,(H,23,26)(H,29,30)
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n/an/a 4.24E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50451274
PNG
(CHEMBL4206619)
Show SMILES OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 4.53E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50451275
PNG
(CHEMBL4205716)
Show SMILES OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 4.82E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50451275
PNG
(CHEMBL4205716)
Show SMILES OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 5.99E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 7.51E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50451274
PNG
(CHEMBL4206619)
Show SMILES OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)
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n/an/a 7.83E+5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50017342
PNG
(CHEMBL1588664)
Show SMILES OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
Show InChI InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat...


Bioorg Med Chem 25: 5849-5858 (2017)


Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7
More data for this
Ligand-Target Pair