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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'fulco' and Initial = 'mc'   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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250n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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390n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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3.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220154
PNG
((2R,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m0/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220150
PNG
((2R,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m1/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220149
PNG
((2S,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m1/s1
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7.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220149
PNG
((2S,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m1/s1
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8.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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8.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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2.35E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220150
PNG
((2R,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m1/s1
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2.54E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220154
PNG
((2R,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220151
PNG
((2R,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220151
PNG
((2R,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220153
PNG
((2R,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220153
PNG
((2R,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220145
PNG
((2S,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220146
PNG
((2S,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220154
PNG
((2R,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220153
PNG
((2R,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220151
PNG
((2R,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220146
PNG
((2S,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220145
PNG
((2S,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220146
PNG
((2S,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220150
PNG
((2R,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220149
PNG
((2S,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220145
PNG
((2S,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220153
PNG
((2R,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m0/s1
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Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220150
PNG
((2R,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220145
PNG
((2S,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220146
PNG
((2S,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220149
PNG
((2S,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m1/s1
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Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50220154
PNG
((2R,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50220151
PNG
((2R,1'S,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4-/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141381
PNG
(CHEMBL3758184)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 1n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5|
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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NCI pathway
Reactome pathway
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n/an/a 9.40n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5|
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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n/an/a 25.7n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 26n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141185
PNG
(CHEMBL3759550)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(11-13-25(16-23)12-10-17-4-2-1-3-5-17)29-21-8-6-18(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)/b9-7+
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n/an/a 27n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 28n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
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 29n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50141139
PNG
(CHEMBL3759808)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3
Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 30n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141361
PNG
(CHEMBL3758716)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccc(F)cc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+
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n/an/a 34n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141111
PNG
(CHEMBL3758901)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+
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n/an/a 52n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.010
BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
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