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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50011714   
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 5


(Rattus norvegicus (Rat))
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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4.50E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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6.20E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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6.50E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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7.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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7.10E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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9.20E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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1.19E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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1.25E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50098248
PNG
(2-Amino-3-(3-hydroxy-4-phenyl-isoxazol-5-yl)-propi...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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2.24E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109652
PNG
(2-Amino-3-[3-hydroxy-4-(3-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-2-1-3-7(15)4-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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2.26E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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2.49E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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2.50E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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3.96E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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4.90E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109652
PNG
(2-Amino-3-[3-hydroxy-4-(3-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-2-1-3-7(15)4-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109652
PNG
(2-Amino-3-[3-hydroxy-4-(3-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-2-1-3-7(15)4-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50098248
PNG
(2-Amino-3-(3-hydroxy-4-phenyl-isoxazol-5-yl)-propi...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50098248
PNG
(2-Amino-3-(3-hydroxy-4-phenyl-isoxazol-5-yl)-propi...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109652
PNG
(2-Amino-3-[3-hydroxy-4-(3-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-2-1-3-7(15)4-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50098248
PNG
(2-Amino-3-(3-hydroxy-4-phenyl-isoxazol-5-yl)-propi...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair