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BDBM50216689 2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(quinolin-5-yl)acrylamide::CHEMBL224864

SMILES: Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1

InChI Key: InChIKey=SVENPFFEMUOOGK-SDNWHVSQSA-N

Data: 30 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50216689   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by flu...


Bioorg Med Chem Lett 24: 1871-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.026
BindingDB Entry DOI: 10.7270/Q2BG2QHQ
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1


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-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 9.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by flu...


Bioorg Med Chem Lett 24: 1871-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.026
BindingDB Entry DOI: 10.7270/Q2BG2QHQ
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 5.28E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-me...


J Med Chem 57: 8340-57 (2014)


Article DOI: 10.1021/jm500777s
BindingDB Entry DOI: 10.7270/Q2KK9DDH
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2


Bioorg Med Chem 23: 328-39 (2015)


Article DOI: 10.1016/j.bmc.2014.11.027
BindingDB Entry DOI: 10.7270/Q2736SJS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant SIRT2 (34 to 356 residues) expressed in Escherichia coli BL21 using Fluor de Lys-SIRT as substrate incubat...


Bioorg Med Chem 23: 328-39 (2015)


Article DOI: 10.1016/j.bmc.2014.11.027
BindingDB Entry DOI: 10.7270/Q2736SJS
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1


Bioorg Med Chem 23: 328-39 (2015)


Article DOI: 10.1016/j.bmc.2014.11.027
BindingDB Entry DOI: 10.7270/Q2736SJS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3


Bioorg Med Chem 23: 328-39 (2015)


Article DOI: 10.1016/j.bmc.2014.11.027
BindingDB Entry DOI: 10.7270/Q2736SJS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-5 (SIRT5)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 1.39E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated l...


Eur J Med Chem 92: 145-55 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.027
BindingDB Entry DOI: 10.7270/Q270834V
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay


Science 317: 516-9 (2007)


Article DOI: 10.1126/science.1143780
BindingDB Entry DOI: 10.7270/Q2D50MPG
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a>5.00E+4n/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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.54E+3n/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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Johns Hopkins UniversitySchool of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SirT2


Nat Chem Biol 4: 590-7 (2008)


Article DOI: 10.1038/nchembio.111
BindingDB Entry DOI: 10.7270/Q2JD4X1V
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/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 SIRT2


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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Sirt2


Bioorg Med Chem 19: 3605-15 (2011)


Article DOI: 10.1016/j.bmc.2011.01.029
BindingDB Entry DOI: 10.7270/Q2SN0992
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 5.50E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p...


J Med Chem 55: 8193-7 (2012)


Article DOI: 10.1021/jm301115r
BindingDB Entry DOI: 10.7270/Q2JW8G0C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-5 (SIRT5)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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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 Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.80E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p...


J Med Chem 55: 8193-7 (2012)


Article DOI: 10.1021/jm301115r
BindingDB Entry DOI: 10.7270/Q2JW8G0C
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 9.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 9.81E+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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 2.80E+3n/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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2


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 Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50216689
PNG
(2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by flu...


Bioorg Med Chem Lett 24: 1871-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.026
BindingDB Entry DOI: 10.7270/Q2BG2QHQ
More data for this
Ligand-Target Pair