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Compile Data Set for Download or QSAR

Found 794 hits with Last Name = 'madsen' and Initial = 'u'   
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 2


(Homo sapiens (Human))
BDBM50089890
PNG
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)
Show SMILES N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089897
PNG
(4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxyl...)
Show SMILES N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50089890
PNG
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)
Show SMILES N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50089897
PNG
(4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxyl...)
Show SMILES N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/s2
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11n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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14n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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17n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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20n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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21n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 3 (GluR3) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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21n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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22n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50316376
PNG
((S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)pro...)
Show SMILES Cc1onc(C(O)=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/s2
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25n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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36n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/s2
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38n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/s2
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39n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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40n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 4 (GluR4) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
GRIA3


(RAT)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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40n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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40n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Eur J Pharmacol 189: 381-91 (1990)


Article DOI: 10.1016/0922-4106(90)90035-v
BindingDB Entry DOI: 10.7270/Q2MW2FNT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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55n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRM8


(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
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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61n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089894
PNG
(2-(Amino-carboxy-methyl)-3-[2-(9H-xanthen-9-yl)-et...)
Show SMILES N[C@@H]([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19+/m1/s1
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75n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50089895
PNG
(2-Amino-3-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarbo...)
Show SMILES N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2?,3-,4+,5?,8+/m1/s1
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100n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/s2
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100n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089895
PNG
(2-Amino-3-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarbo...)
Show SMILES N[C@@]1(C2C(C[C@H]1O)[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)3(10)1-2-4(5(2)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2?,3-,4+,5?,8+/m1/s1
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110n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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110n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50128264
PNG
((R,S)-2-amino-3-(4-chloro-3-hydroxy-5-isoxazolyl)p...)
Show SMILES NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
Show InChI InChI=1/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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130n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50089912
PNG
((2S)-2-amino-4-methylidenepentanedioic acid | 4-me...)
Show SMILES N[C@@H](CC(=C)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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150n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human metabotropic glutamate receptor 1


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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170n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50017244
PNG
((R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)pr...)
Show SMILES NC(Cc1o[nH]c(=O)c1Br)C(O)=O
Show InChI InChI=1/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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170n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50089894
PNG
(2-(Amino-carboxy-methyl)-3-[2-(9H-xanthen-9-yl)-et...)
Show SMILES N[C@@H]([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19+/m1/s1
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200n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50004852
PNG
(AMAA | Amino-(3-hydroxy-5-methyl-isoxazol-4-yl)-ac...)
Show SMILES Cc1o[nH]c(=O)c1C(N)C(O)=O
Show InChI InChI=1/C6H8N2O4/c1-2-3(4(7)6(10)11)5(9)8-12-2/h4H,7H2,1H3,(H,8,9)(H,10,11)
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200n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Eur J Pharmacol 189: 381-91 (1990)


Article DOI: 10.1016/0922-4106(90)90035-v
BindingDB Entry DOI: 10.7270/Q2MW2FNT
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50004881
PNG
((RS) PPG | Amino-(4-phosphono-phenyl)-acetic acid ...)
Show SMILES NC(C(O)=O)c1ccc(cc1)P(O)(O)=O
Show InChI InChI=1/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)
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210n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089912
PNG
((2S)-2-amino-4-methylidenepentanedioic acid | 4-me...)
Show SMILES N[C@@H](CC(=C)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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230n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50017244
PNG
((R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)pr...)
Show SMILES NC(Cc1o[nH]c(=O)c1Br)C(O)=O
Show InChI InChI=1/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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250n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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270n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084141
PNG
((E)-2-methyl-6-styrylpyridine | 2-Methyl-6-((E)-st...)
Show SMILES Cc1cccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
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290n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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330n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50089909
PNG
(3-[1-Amino-1-carboxy-2-(9H-thioxanthen-9-yl)-ethyl...)
Show SMILES N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13+,21-/m0/s1
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350n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human metabotropic glutamate receptor 1


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50128264
PNG
((R,S)-2-amino-3-(4-chloro-3-hydroxy-5-isoxazolyl)p...)
Show SMILES NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
Show InChI InChI=1/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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370n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86717
PNG
(CAS_5218788 | CHEMBL88553 | NSC_5218788 | SIB-1757)
Show SMILES Cc1ccc(O)c(N=Nc2ccccc2)n1
Show InChI InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3/b15-14+
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370n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50089890
PNG
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)
Show SMILES N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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400n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50052398
PNG
((2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |...)
Show SMILES N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/s2
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410n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50034504
PNG
((1S,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
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440n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50052398
PNG
((2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |...)
Show SMILES N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/s2
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450n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50002343
PNG
(2-Methylamino-succinic acid | CHEMBL275325 | NMDA)
Show SMILES CNC(CC(O)=O)C(O)=O
Show InChI InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
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450n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Eur J Pharmacol 189: 381-91 (1990)


Article DOI: 10.1016/0922-4106(90)90035-v
BindingDB Entry DOI: 10.7270/Q2MW2FNT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50089909
PNG
(3-[1-Amino-1-carboxy-2-(9H-thioxanthen-9-yl)-ethyl...)
Show SMILES N[C@@](CC1c2ccccc2Sc2ccccc12)([C@@H]1C[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13+,21-/m0/s1
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470n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034504
PNG
((1S,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
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490n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 agonist


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50089906
PNG
(2-Amino-bicyclo[2.1.1]hexane-2,5-dicarboxylic acid...)
Show SMILES N[C@]1(CC2CC1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4?,5-,8-/m0/s1
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720n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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740n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor ionotropic kainate 1 (GluR5) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(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
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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900n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
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