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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'lenoci' and Initial = 'a'   
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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047966
PNG
(CHEMBL3314860)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C20H16N4O3/c25-18(24-26)10-7-13-5-8-14(9-6-13)20-23-22-19(27-20)11-15-12-21-17-4-2-1-3-16(15)17/h1-10,12,21,26H,11H2,(H,24,25)/b10-7+
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n/an/a 30n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047967
PNG
(CHEMBL3314861)
Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+
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n/an/a 30n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047965
PNG
(CHEMBL3314859)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C22H17N3O3/c26-20(25-27)13-10-15-8-11-17(12-9-15)22-24-23-21(28-22)14-18-6-3-5-16-4-1-2-7-19(16)18/h1-13,27H,14H2,(H,25,26)/b13-10+
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n/an/a 60n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 60n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047969
PNG
(CHEMBL3314863)
Show SMILES ONC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-21(24-26)16-10-8-14(9-11-16)12-19-22-23-20(27-19)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,26H,12-13H2,(H,24,25)
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n/an/a 200n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047964
PNG
(CHEMBL3314869)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32)
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n/an/a 200n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047967
PNG
(CHEMBL3314861)
Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+
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n/an/a 200n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 300n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047963
PNG
(CHEMBL3314868)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31)
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n/an/a 300n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047966
PNG
(CHEMBL3314860)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C20H16N4O3/c25-18(24-26)10-7-13-5-8-14(9-6-13)20-23-22-19(27-20)11-15-12-21-17-4-2-1-3-16(15)17/h1-10,12,21,26H,11H2,(H,24,25)/b10-7+
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n/an/a 600n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047965
PNG
(CHEMBL3314859)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C22H17N3O3/c26-20(25-27)13-10-15-8-11-17(12-9-15)22-24-23-21(28-22)14-18-6-3-5-16-4-1-2-7-19(16)18/h1-13,27H,14H2,(H,25,26)/b13-10+
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n/an/a 800n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047970
PNG
(CHEMBL3314864)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-10-3-4-11-25(24)30-26(33)17-14-19-12-15-21(16-13-19)28-32-31-27(34-28)18-22-8-5-7-20-6-1-2-9-23(20)22/h1-17H,18,29H2,(H,30,33)/b17-14+
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n/an/a 1.00E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047969
PNG
(CHEMBL3314863)
Show SMILES ONC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-21(24-26)16-10-8-14(9-11-16)12-19-22-23-20(27-19)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,26H,12-13H2,(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047972
PNG
(CHEMBL3314866)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C26H21N5O2/c27-21-6-2-4-8-23(21)29-24(32)14-11-17-9-12-18(13-10-17)26-31-30-25(33-26)15-19-16-28-22-7-3-1-5-20(19)22/h1-14,16,28H,15,27H2,(H,29,32)/b14-11+
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n/an/a 1.50E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047971
PNG
(CHEMBL3314865)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-7-3-4-8-25(24)30-26(33)16-12-19-9-14-22(15-10-19)28-32-31-27(34-28)18-20-11-13-21-5-1-2-6-23(21)17-20/h1-17H,18,29H2,(H,30,33)/b16-12+
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n/an/a 2.40E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047973
PNG
(CHEMBL3314867)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C29H24N4O2/c30-25-10-3-4-11-26(25)31-27(34)17-16-20-12-14-21(15-13-20)18-28-32-33-29(35-28)19-23-8-5-7-22-6-1-2-9-24(22)23/h1-17H,18-19,30H2,(H,31,34)/b17-16+
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n/an/a 4.10E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047968
PNG
(CHEMBL3314862)
Show SMILES ONC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C20H15N3O3/c24-19(23-25)14-8-10-15(11-9-14)20-22-21-18(26-20)12-16-6-3-5-13-4-1-2-7-17(13)16/h1-11,25H,12H2,(H,23,24)
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n/an/a 4.10E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047969
PNG
(CHEMBL3314863)
Show SMILES ONC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C21H17N3O3/c25-21(24-26)16-10-8-14(9-11-16)12-19-22-23-20(27-19)13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,26H,12-13H2,(H,24,25)
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n/an/a 7.80E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 8.80E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047964
PNG
(CHEMBL3314869)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32)
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n/an/a 8.90E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50047968
PNG
(CHEMBL3314862)
Show SMILES ONC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C20H15N3O3/c24-19(23-25)14-8-10-15(11-9-14)20-22-21-18(26-20)12-16-6-3-5-13-4-1-2-7-17(13)16/h1-11,25H,12H2,(H,23,24)
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n/an/a 9.90E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047966
PNG
(CHEMBL3314860)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C20H16N4O3/c25-18(24-26)10-7-13-5-8-14(9-6-13)20-23-22-19(27-20)11-15-12-21-17-4-2-1-3-16(15)17/h1-10,12,21,26H,11H2,(H,24,25)/b10-7+
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n/an/a 1.52E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047963
PNG
(CHEMBL3314868)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31)
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n/an/a 1.61E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50309829
PNG
(1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...)
Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 1.92E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047963
PNG
(CHEMBL3314868)
Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31)
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047964
PNG
(CHEMBL3314869)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32)
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047967
PNG
(CHEMBL3314861)
Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047965
PNG
(CHEMBL3314859)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C22H17N3O3/c26-20(25-27)13-10-15-8-11-17(12-9-15)22-24-23-21(28-22)14-18-6-3-5-16-4-1-2-7-19(16)18/h1-13,27H,14H2,(H,25,26)/b13-10+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047970
PNG
(CHEMBL3314864)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-10-3-4-11-25(24)30-26(33)17-14-19-12-15-21(16-13-19)28-32-31-27(34-28)18-22-8-5-7-20-6-1-2-9-23(20)22/h1-17H,18,29H2,(H,30,33)/b17-14+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047971
PNG
(CHEMBL3314865)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-7-3-4-8-25(24)30-26(33)16-12-19-9-14-22(15-10-19)28-32-31-27(34-28)18-20-11-13-21-5-1-2-6-23(21)17-20/h1-17H,18,29H2,(H,30,33)/b16-12+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047972
PNG
(CHEMBL3314866)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C26H21N5O2/c27-21-6-2-4-8-23(21)29-24(32)14-11-17-9-12-18(13-10-17)26-31-30-25(33-26)15-19-16-28-22-7-3-1-5-20(19)22/h1-14,16,28H,15,27H2,(H,29,32)/b14-11+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047973
PNG
(CHEMBL3314867)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C29H24N4O2/c30-25-10-3-4-11-26(25)31-27(34)17-16-20-12-14-21(15-13-20)18-28-32-33-29(35-28)19-23-8-5-7-22-6-1-2-9-24(22)23/h1-17H,18-19,30H2,(H,31,34)/b17-16+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047973
PNG
(CHEMBL3314867)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C29H24N4O2/c30-25-10-3-4-11-26(25)31-27(34)17-16-20-12-14-21(15-13-20)18-28-32-33-29(35-28)19-23-8-5-7-22-6-1-2-9-24(22)23/h1-17H,18-19,30H2,(H,31,34)/b17-16+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047972
PNG
(CHEMBL3314866)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C26H21N5O2/c27-21-6-2-4-8-23(21)29-24(32)14-11-17-9-12-18(13-10-17)26-31-30-25(33-26)15-19-16-28-22-7-3-1-5-20(19)22/h1-14,16,28H,15,27H2,(H,29,32)/b14-11+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047968
PNG
(CHEMBL3314862)
Show SMILES ONC(=O)c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C20H15N3O3/c24-19(23-25)14-8-10-15(11-9-14)20-22-21-18(26-20)12-16-6-3-5-13-4-1-2-7-17(13)16/h1-11,25H,12H2,(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047970
PNG
(CHEMBL3314864)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-10-3-4-11-25(24)30-26(33)17-14-19-12-15-21(16-13-19)28-32-31-27(34-28)18-22-8-5-7-20-6-1-2-9-23(20)22/h1-17H,18,29H2,(H,30,33)/b17-14+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50047971
PNG
(CHEMBL3314865)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2ccc3ccccc3c2)o1
Show InChI InChI=1S/C28H22N4O2/c29-24-7-3-4-8-25(24)30-26(33)16-12-19-9-14-22(15-10-19)28-32-31-27(34-28)18-20-11-13-21-5-1-2-6-23(21)17-20/h1-17H,18,29H2,(H,30,33)/b16-12+
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n/an/a>2.00E+4n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substra...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50309828
PNG
((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
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n/an/a 2.26E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50400320
PNG
(CHEMBL2181509)
Show SMILES CC(CS(=O)(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NO3S/c1-19(20-9-3-2-4-10-20)18-31(29,30)26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 2.42E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50309827
PNG
(CHEMBL597845 | Salermide)
Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50309827
PNG
(CHEMBL597845 | Salermide)
Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.03E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400323
PNG
(CHEMBL2181516)
Show SMILES CC(CSc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-9-3-2-4-10-20)18-29-26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 4.03E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400322
PNG
(CHEMBL2181515)
Show SMILES CC(NS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-18(19-8-3-2-4-9-19)27-31(29,30)22-12-7-11-21(16-22)26-17-24-23-13-6-5-10-20(23)14-15-25(24)28/h2-18,27-28H,1H3/b26-17+
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50309828
PNG
((E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N2O3S/c1-18(19-7-3-2-4-8-19)27-31(29,30)22-14-12-21(13-15-22)26-17-24-23-10-6-5-9-20(23)11-16-25(24)28/h2-18,27-28H,1H3/b26-17+
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400329
PNG
(CHEMBL2181512)
Show SMILES CC(C(=O)Nc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)26(30)28-24-14-8-7-13-23(24)27-17-22-21-12-6-5-11-20(21)15-16-25(22)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50309829
PNG
(1-((3-(2-phenylpropylthio)phenylimino)methyl)napht...)
Show SMILES CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-8-3-2-4-9-20)18-29-23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
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n/an/a 4.03E+4n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400324
PNG
(CHEMBL2181517)
Show SMILES CC(CSc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NOS/c1-19(20-7-3-2-4-8-20)18-29-23-14-12-22(13-15-23)27-17-25-24-10-6-5-9-21(24)11-16-26(25)28/h2-17,19,28H,18H2,1H3/b27-17+
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400325
PNG
(CHEMBL2181506)
Show SMILES CC(CS(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
Show InChI InChI=1S/C26H23NO2S/c1-19(20-9-3-2-4-10-20)18-30(29)26-14-8-7-13-24(26)27-17-23-22-12-6-5-11-21(22)15-16-25(23)28/h2-17,19,28H,18H2,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400326
PNG
(CHEMBL2181507)
Show SMILES CC(CS(=O)c1cccc(c1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
Show InChI InChI=1S/C26H23NO2S/c1-19(20-8-3-2-4-9-20)18-30(29)23-12-7-11-22(16-23)27-17-25-24-13-6-5-10-21(24)14-15-26(25)28/h2-17,19,28H,18H2,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50400327
PNG
(CHEMBL2181508)
Show SMILES CC(CS(=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
Show InChI InChI=1S/C26H23NO2S/c1-19(20-7-3-2-4-8-20)18-30(29)23-14-12-22(13-15-23)27-17-25-24-10-6-5-9-21(24)11-16-26(25)28/h2-17,19,28H,18H2,1H3
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Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluo...


J Med Chem 55: 10937-47 (2012)


Article DOI: 10.1021/jm3011614
BindingDB Entry DOI: 10.7270/Q28G8MVM
More data for this
Ligand-Target Pair
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