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Patent code US9737525

Compile Data Set for Download or QSAR
Found 20 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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM335558
PNG
(US9737525, Compound MIND4-17-56)
Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(Br)c1
Show InChI InChI=1S/C19H11BrClN5O2S/c20-16-10-15(26(27)28)11-22-18(16)29-19-24-23-17(12-6-8-13(21)9-7-12)25(19)14-4-2-1-3-5-14/h1-11H
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n/an/a 750n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333453
PNG
(US9737525, Compound MIND4)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333453
PNG
(US9737525, Compound MIND4)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333455
PNG
(US9737525, Compound MIND4-11)
Show SMILES C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C26H21N3OS/c1-3-10-20(11-4-1)19-31-26-28-27-25(29(26)22-14-5-2-6-15-22)18-30-24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333455
PNG
(US9737525, Compound MIND4-11)
Show SMILES C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C26H21N3OS/c1-3-10-20(11-4-1)19-31-26-28-27-25(29(26)22-14-5-2-6-15-22)18-30-24-17-9-13-21-12-7-8-16-23(21)24/h1-17H,18-19H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333458
PNG
(US9737525, Compound MIND4-20)
Show SMILES Brc1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1
Show InChI InChI=1S/C22H18BrN3OS/c23-18-9-7-8-17(14-18)16-28-22-25-24-21(15-27-20-12-5-2-6-13-20)26(22)19-10-3-1-4-11-19/h1-14H,15-16H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333460
PNG
(US9737525, Compound MIND4-22)
Show SMILES C(Oc1cccc2ccccc12)c1nnc(SCc2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C27H23N3OS/c1-3-10-21(11-4-1)18-30-26(28-29-27(30)32-20-22-12-5-2-6-13-22)19-31-25-17-9-15-23-14-7-8-16-24(23)25/h1-17H,18-20H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50424850
PNG
(CHEMBL2315467 | US9737525, Compound MIND4-19)
Show SMILES C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c1-4-10-18(11-5-1)17-27-22-24-23-21(16-26-20-14-8-3-9-15-20)25(22)19-12-6-2-7-13-19/h1-15H,16-17H2
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Article
US Patent
n/an/a 7.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM335557
PNG
(US9737525, Compound MIND4-17-33)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nc1
Show InChI InChI=1S/C19H12ClN5O2S/c20-14-8-6-13(7-9-14)18-22-23-19(24(18)15-4-2-1-3-5-15)28-17-11-10-16(12-21-17)25(26)27/h1-12H
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n/an/a 7.50E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333462
PNG
(US9737525, Compound MIND4A)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)c2ncccc12
Show InChI InChI=1S/C23H15N5O2S/c29-28(30)19-13-14-20(21-18(19)12-7-15-24-21)31-23-26-25-22(16-8-3-1-4-9-16)27(23)17-10-5-2-6-11-17/h1-15H
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n/an/a 7.50E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333461
PNG
(US9737525, Compound MIND4-23)
Show SMILES COc1ccc(CSc2nnc(COc3cccc4ccccc34)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C28H25N3O2S/c1-32-24-16-14-22(15-17-24)20-34-28-30-29-27(31(28)18-21-8-3-2-4-9-21)19-33-26-13-7-11-23-10-5-6-12-25(23)26/h2-17H,18-20H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333456
PNG
(US9737525, Compound MIND4-12)
Show SMILES C(Oc1cccc2cccnc12)c1nnc(SCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C25H20N4OS/c1-3-9-19(10-4-1)18-31-25-28-27-23(29(25)21-13-5-2-6-14-21)17-30-22-15-7-11-20-12-8-16-26-24(20)22/h1-16H,17-18H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333459
PNG
(US9737525, Compound MIND4-21)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O3S/c27-26(28)19-13-11-17(12-14-19)16-30-22-24-23-21(15-29-20-9-5-2-6-10-20)25(22)18-7-3-1-4-8-18/h1-14H,15-16H2
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The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333459
PNG
(US9737525, Compound MIND4-21)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O3S/c27-26(28)19-13-11-17(12-14-19)16-30-22-24-23-21(15-29-20-9-5-2-6-10-20)25(22)18-7-3-1-4-8-18/h1-14H,15-16H2
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The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333454
PNG
(US9737525, Compound MIND4-2)
Show SMILES Clc1ccc(cc1)-n1c(COc2cccc3ccccc23)nnc1SCc1ccccc1
Show InChI InChI=1S/C26H20ClN3OS/c27-21-13-15-22(16-14-21)30-25(28-29-26(30)32-18-19-7-2-1-3-8-19)17-31-24-12-6-10-20-9-4-5-11-23(20)24/h1-16H,17-18H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333464
PNG
(US9737525, Compound MIND4C)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(19-12-7-15-25-23(19)20)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
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n/an/a>2.00E+7n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM335555
PNG
(US9737525, Compound MIND4-17-3)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)[nH]2)nc1
Show InChI InChI=1S/C14H11N5O3S/c20-19(21)10-6-7-13(15-8-10)23-14-16-12(17-18-14)9-22-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17,18)
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n/an/a>5.00E+7n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM335554
PNG
(US9737525, Compound MIND4-17)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1
Show InChI InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2
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n/an/a>5.00E+7n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM335556
PNG
(US9737525, Compound MIND4-17-15)
Show SMILES [O-][N+](=O)c1ccc(Sc2nnc(Cc3ccccc3)n2-c2ccccc2)nc1
Show InChI InChI=1S/C20H15N5O2S/c26-25(27)17-11-12-19(21-14-17)28-20-23-22-18(13-15-7-3-1-4-8-15)24(20)16-9-5-2-6-10-16/h1-12,14H,13H2
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n/an/a>5.00E+7n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM333463
PNG
(US9737525, Compound MIND4B)
Show SMILES Cn1cnnc1Sc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C12H9N5O2S/c1-16-7-14-15-12(16)20-10-5-4-9(17(18)19)8-3-2-6-13-11(8)10/h2-7H,1H3
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n/an/a>5.00E+7n/an/an/an/an/an/a



The General Hospital Corporation; The Regents of the University of California

US Patent


Assay Description
Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outei...


US Patent US9737525 (2017)


Article DOI: 10.1021/jm060727j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%