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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'peduto' 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
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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PubMed
160n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
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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570n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
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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1.16E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
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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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
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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6.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m0/s1
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5.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254338
PNG
((2R)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m1/s1
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2.10E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m0/s1
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2.93E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254391
PNG
((2S)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254391
PNG
((2S)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254338
PNG
((2R)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m1/s1
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3.36E+5n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254390
PNG
((2R)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254392
PNG
((2R)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m1/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50254392
PNG
((2R)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m1/s1
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Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254392
PNG
((2R)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m1/s1
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Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/m0/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254338
PNG
((2R)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m1/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254338
PNG
((2R)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m0/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50254391
PNG
((2S)-(3'-Phosphonomethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CP(O)(O)=O)(C1)C2)C(O)=O |r|
Show InChI InChI=1S/C9H16NO5P/c10-6(7(11)12)1-8-2-9(3-8,4-8)5-16(13,14)15/h6H,1-5,10H2,(H,11,12)(H2,13,14,15)/t6-,8?,9?/m0/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m0/s1
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Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50254337
PNG
((2S)-3-(3'-Carboxybicyclo[1.1.1]pentyl)alanine | C...)
Show SMILES N[C@@H](CC12CC(C1)(C2)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C9H13NO4/c10-5(6(11)12)1-8-2-9(3-8,4-8)7(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)/t5-,8?,9?/m0/s1
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Universit£ di Salerno

Curated by ChEMBL


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


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231998
PNG
(CHEMBL4085835)
Show SMILES CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
Show InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16,22-23H,4-15H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate prei...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078888
PNG
(CHEMBL3416359)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:12,18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(23-2)20(16)24-3/h15H,4-14H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231991
PNG
(CHEMBL4093584)
Show SMILES CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
Show InChI InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14,20-21H,4-13H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate prei...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078890
PNG
(CHEMBL3416357)
Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3
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University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078886
PNG
(CHEMBL3416361)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(25-2)22(18)26-3/h17H,4-16H2,1-3H3
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University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231998
PNG
(CHEMBL4085835)
Show SMILES CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
Show InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16,22-23H,4-15H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins follow...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078850
PNG
(CHEBI:4778 | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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n/an/a 60n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX by cell free assay


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078850
PNG
(CHEBI:4778 | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078890
PNG
(CHEMBL3416357)
Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3
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University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231999
PNG
(CHEMBL4103758)
Show SMILES CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
Show InChI InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(23-2)20(16)24-3/h15,21-22H,4-14H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate prei...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078886
PNG
(CHEMBL3416361)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(25-2)22(18)26-3/h17H,4-16H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078883
PNG
(CHEMBL3416365)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:23,t:2|
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)20(24)15-21(26-5)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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n/an/a 100n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231991
PNG
(CHEMBL4093584)
Show SMILES CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
Show InChI InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14,20-21H,4-13H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins follow...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50232002
PNG
(CHEMBL4095644)
Show SMILES COC1=CC(=O)C(=O)C(CCCCCCCCCCCO)=C1OC |c:20,t:2|
Show InChI InChI=1S/C19H30O5/c1-23-17-14-16(21)18(22)15(19(17)24-2)12-10-8-6-4-3-5-7-9-11-13-20/h14,20H,3-13H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate prei...


Eur J Med Chem 127: 715-726 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.046
BindingDB Entry DOI: 10.7270/Q2DR2XQ8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
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