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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'jane' and Initial = 'de'   
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
Grik5


(HUMAN)
BDBM50060627
PNG
((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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0.240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50111396
PNG
(CHEMBL273636 | [[(S)-1-(4-Bromo-phenyl)-ethylamino...)
Show SMILES C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
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5.40n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2A expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060636
PNG
((S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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9.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50111396
PNG
(CHEMBL273636 | [[(S)-1-(4-Bromo-phenyl)-ethylamino...)
Show SMILES C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
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11.6n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060635
PNG
((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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15n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060635
PNG
((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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25n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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29n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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31n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50050704
PNG
((R)-4-(3-Phosphono-propyl)-piperazine-2-carboxylic...)
Show SMILES OC(=O)[C@H]1CN(CCCP(O)(O)=O)CCN1 |r|
Show InChI InChI=1/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/s2
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41n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2A expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060632
PNG
((S)-2-Amino-3-(5-chloro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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53n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060632
PNG
((S)-2-Amino-3-(5-chloro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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57n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060632
PNG
((S)-2-Amino-3-(5-chloro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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65n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50111396
PNG
(CHEMBL273636 | [[(S)-1-(4-Bromo-phenyl)-ethylamino...)
Show SMILES C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
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67n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2B expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1 |r|
Show InChI InChI=1/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/s2
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70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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74n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060633
PNG
((S)-2-Amino-3-(6-methyl-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES Cc1nn(C[C@H](N)C(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C7H10N4O4/c1-3-5(12)9-7(15)11(10-3)2-4(8)6(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,12,15)/t4-/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060636
PNG
((S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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92n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164540
PNG
((2R,3S)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1
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96n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164549
PNG
((2R,3S)-1-(7-Bromo-phenanthrene-2-carbonyl)-pipera...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3cc(Br)ccc23)c1
Show InChI InChI=1S/C21H17BrN2O5/c22-14-4-6-16-12(10-14)2-1-11-9-13(3-5-15(11)16)19(25)24-8-7-23-17(20(26)27)18(24)21(28)29/h1-6,9-10,17-18,23H,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1
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99.4n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164549
PNG
((2R,3S)-1-(7-Bromo-phenanthrene-2-carbonyl)-pipera...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3cc(Br)ccc23)c1
Show InChI InChI=1S/C21H17BrN2O5/c22-14-4-6-16-12(10-14)2-1-11-9-13(3-5-15(11)16)19(25)24-8-7-23-17(20(26)27)18(24)21(28)29/h1-6,9-10,17-18,23H,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164540
PNG
((2R,3S)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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101n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060636
PNG
((S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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101n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM17662
PNG
((2S)-2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl...)
Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/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)/t5-/m0/s1
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103n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM17662
PNG
((2S)-2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl...)
Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/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)/t5-/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060631
PNG
((S)-2-Amino-3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc([N+]([O-])=O)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1
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115n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM17662
PNG
((2S)-2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl...)
Show SMILES Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/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)/t5-/m0/s1
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155n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
GRIA1


(HUMAN)
BDBM50060627
PNG
((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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163n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060634
PNG
((S)-2-Amino-3-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]tri...)
Show SMILES N[C@@H](Cn1ncc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H8N4O4/c7-3(5(12)13)2-10-6(14)9-4(11)1-8-10/h1,3H,2,7H2,(H,12,13)(H,9,11,14)/t3-/m0/s1
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163n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060627
PNG
((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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176n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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177n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060634
PNG
((S)-2-Amino-3-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]tri...)
Show SMILES N[C@@H](Cn1ncc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H8N4O4/c7-3(5(12)13)2-10-6(14)9-4(11)1-8-10/h1,3H,2,7H2,(H,12,13)(H,9,11,14)/t3-/m0/s1
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189n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060631
PNG
((S)-2-Amino-3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc([N+]([O-])=O)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1
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207n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1 |r|
Show InChI InChI=1/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/s2
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210n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1 |r|
Show InChI InChI=1/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/s2
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220n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060633
PNG
((S)-2-Amino-3-(6-methyl-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES Cc1nn(C[C@H](N)C(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C7H10N4O4/c1-3-5(12)9-7(15)11(10-3)2-4(8)6(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,12,15)/t4-/m0/s1
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240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164549
PNG
((2R,3S)-1-(7-Bromo-phenanthrene-2-carbonyl)-pipera...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3cc(Br)ccc23)c1
Show InChI InChI=1S/C21H17BrN2O5/c22-14-4-6-16-12(10-14)2-1-11-9-13(3-5-15(11)16)19(25)24-8-7-23-17(20(26)27)18(24)21(28)29/h1-6,9-10,17-18,23H,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1
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250n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164549
PNG
((2R,3S)-1-(7-Bromo-phenanthrene-2-carbonyl)-pipera...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc2c(ccc3cc(Br)ccc23)c1
Show InChI InChI=1S/C21H17BrN2O5/c22-14-4-6-16-12(10-14)2-1-11-9-13(3-5-15(11)16)19(25)24-8-7-23-17(20(26)27)18(24)21(28)29/h1-6,9-10,17-18,23H,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1
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250n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2B expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50050704
PNG
((R)-4-(3-Phosphono-propyl)-piperazine-2-carboxylic...)
Show SMILES OC(=O)[C@H]1CN(CCCP(O)(O)=O)CCN1 |r|
Show InChI InChI=1/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/s2
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270n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2B expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060631
PNG
((S)-2-Amino-3-(5-nitro-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc([N+]([O-])=O)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1
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279n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50004897
PNG
((APV)2-Amino-5-phosphono-pentanoic acid | (R)-2-Am...)
Show SMILES NC(CCCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
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280n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2A expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164555
PNG
((2R,3S)-1-(9,10-Dihydro-phenanthrene-2-carbonyl)-p...)
Show SMILES OC(=O)[C@H]1NCCN([C@H]1C(O)=O)C(=O)c1ccc-2c(CCc3ccccc-23)c1
Show InChI InChI=1S/C21H20N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-8,11,17-18,22H,5-6,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1
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290n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xeno...


J Med Chem 48: 2627-37 (2005)

More data for this
Ligand-Target Pair
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