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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM50156760
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Wt: 394.4
BDBM50177983
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Wt: 394.4
BDBM50177986
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 44 hits in this display   
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))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)


J Med Chem 60: 1928-1945 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01690
BindingDB Entry DOI: 10.7270/Q23F4SP1
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT1 (18 to 340 residues) expressed in Escherichia coli BL21 (DE3)LysS using acetylated HeLa histones as substrate me...


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT2 using acetylated HeLa histones substrate


Bioorg Med Chem 19: 3616-24 (2011)


Article DOI: 10.1016/j.bmc.2011.01.018
BindingDB Entry DOI: 10.7270/Q2251JJ4
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-tagged GST-SIRT1 fusion protein using fluorescent ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetyl...


Medchemcomm (2012)


Article DOI: 10.1039/C2MD00290F
BindingDB Entry DOI: 10.7270/Q2DN4815
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
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n/an/a 3.94E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.01E+4n/an/an/an/an/a25



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at room temperature for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.51E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay


J Med Chem 47: 6292-8 (2004)


Article DOI: 10.1021/jm049933m
BindingDB Entry DOI: 10.7270/Q2S1820Z
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.51E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of SIRT2


J Med Chem 49: 7907-11 (2006)


Article DOI: 10.1021/jm060566j
BindingDB Entry DOI: 10.7270/Q2G73FHM
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.58E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at 37 degC for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.59E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Inhibition of SIRT2


J Med Chem 54: 417-32 (2011)


Article DOI: 10.1021/jm100861p
BindingDB Entry DOI: 10.7270/Q25X2B28
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluores...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.71E+4n/an/an/an/an/an/a



Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...


J Med Chem 60: 4714-4733 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00533
BindingDB Entry DOI: 10.7270/Q23X894D
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.80E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant yeast Sir2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.80E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast Hst2 by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay


ACS Med Chem Lett 3: 1050-1053 (2012)


Article DOI: 10.1021/ml3002709
BindingDB Entry DOI: 10.7270/Q29C6ZKP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.92E+4n/an/an/an/an/an/a



College of Pharmacy and Gachon Institute of Pharmaceutical Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT2 after 30 mins


Eur J Med Chem 164: 517-545 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.066
BindingDB Entry DOI: 10.7270/Q2GX4G4C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50177983
PNG
((R)-sirtinol | CHEMBL198582)
Show SMILES C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m1/s1
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n/an/a 4.93E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 5.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 5.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50177983
PNG
((R)-sirtinol | CHEMBL198582)
Show SMILES C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m1/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 5.77E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50177983
PNG
((R)-sirtinol | CHEMBL198582)
Show SMILES C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m1/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant yeast Sir2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
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n/an/a 6.60E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant yeast Sir2


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 6.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic affinity tested against isolated Rat Thoracic Aorta Alpha-1D adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50177986
PNG
((S)-sirtinol | CHEMBL197282)
Show SMILES C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent histone deacetylase SIR2


(Saccharomyces cerevisiae)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 6.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant yeast Sir2p using acetylated HeLa histones as substrate measured after 2 hrs in presence of NAD by scintillation counting m...


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 6.80E+4n/an/an/an/an/an/a



CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged SIRT1 using acetylated HeLa histones substrate


Bioorg Med Chem 19: 3616-24 (2011)


Article DOI: 10.1016/j.bmc.2011.01.018
BindingDB Entry DOI: 10.7270/Q2251JJ4
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 6.99E+4n/an/an/an/an/an/a



College of Pharmacy and Gachon Institute of Pharmaceutical Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human SIRT1 after 30 mins


Eur J Med Chem 164: 517-545 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.066
BindingDB Entry DOI: 10.7270/Q2GX4G4C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 8.25E+4n/an/an/an/an/an/a



Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...


J Med Chem 60: 4714-4733 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00533
BindingDB Entry DOI: 10.7270/Q23X894D
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of SIRT5


J Med Chem 55: 5582-90 (2012)


Article DOI: 10.1021/jm300526r
BindingDB Entry DOI: 10.7270/Q2ZS2XM7
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guiyang Medical University

Curated by ChEMBL


Assay Description
Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate


Bioorg Med Chem Lett 25: 1671-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.018
BindingDB Entry DOI: 10.7270/Q2MK6FKB
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SIRT2 (18 to 340 residues) (unknown origin) expressed in Escherichia coli BL21-(DE3)LysS cells


J Med Chem 60: 1928-1945 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01690
BindingDB Entry DOI: 10.7270/Q23F4SP1
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length SIRT2 using fluorescent ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay


Medchemcomm (2012)


Article DOI: 10.1039/C2MD00290F
BindingDB Entry DOI: 10.7270/Q2DN4815
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.23E+5n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluoresc...


J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.23E+5n/an/an/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Inhibition of SIRT1


J Med Chem 54: 417-32 (2011)


Article DOI: 10.1021/jm100861p
BindingDB Entry DOI: 10.7270/Q25X2B28
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.23E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.31E+5n/an/an/an/an/an/a



Università degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory activity against human SIRT1


J Med Chem 48: 7789-95 (2005)


Article DOI: 10.1021/jm050100l
BindingDB Entry DOI: 10.7270/Q26M36DP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase


(Leishmania infantum)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.94E+5n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania infantum SIR2RP1


Eur J Med Chem 59: 132-40 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.014
BindingDB Entry DOI: 10.7270/Q2CF9RDD
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase


(Leishmania infantum)
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 1.94E+5n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 2.45E+5n/an/an/an/an/an/a



Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 in presence of NAD+ by fluorimetric method


J Med Chem 60: 4780-4804 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01595
BindingDB Entry DOI: 10.7270/Q2JD50D0
More data for this
Ligand-Target Pair