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Compile Data Set for Download or QSAR

Found 1177 hits Enz. Inhib. hit(s) with Target = 'Glutamate-NMDA'   
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
Glutamate-NMDA


(RAT)
BDBM50078513
PNG
(7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H4Cl2N4O3/c11-3-1-5-6(2-4(3)12)16-8(9(17)13-5)14-7(15-16)10(18)19/h1-2H,(H,13,17)(H,18,19)
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n/an/an/an/a 300n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the NMDA receptor-ion channel complex was demonstrated by the ability to inhibit the binding of thechannel-blocking agent [3...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50001266
PNG
(5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...)
Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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n/an/an/an/a 330n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078527
PNG
(7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5...)
Show SMILES OC(=O)c1nc2n(n1)c1c(Cl)cc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H4Cl2N4O3/c11-3-1-4(12)6-5(2-3)13-9(17)8-14-7(10(18)19)15-16(6)8/h1-2H,(H,13,17)(H,18,19)
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n/an/an/an/a 1.35E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078507
PNG
(7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C12H8Cl2N4O3/c1-2-21-12(20)9-16-10-11(19)15-7-3-5(13)6(14)4-8(7)18(10)17-9/h3-4H,2H2,1H3,(H,15,19)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078519
PNG
(7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]q...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H5ClN4O3/c11-4-1-2-6-5(3-4)12-9(16)8-13-7(10(17)18)14-15(6)8/h1-3H,(H,12,16)(H,17,18)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078531
PNG
(4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazol...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C11H5F3N4O3/c12-11(13,14)4-1-2-6-5(3-4)15-9(19)8-16-7(10(20)21)17-18(6)8/h1-3H,(H,15,19)(H,20,21)
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n/an/an/an/a 3.18E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078515
PNG
(7-Bromo-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(Br)cc1[nH]c2=O
Show InChI InChI=1S/C10H5BrN4O3/c11-4-1-2-6-5(3-4)12-9(16)8-13-7(10(17)18)14-15(6)8/h1-3H,(H,12,16)(H,17,18)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078522
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES OC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C10H6N4O3/c15-9-8-12-7(10(16)17)13-14(8)6-4-2-1-3-5(6)11-9/h1-4H,(H,11,15)(H,16,17)
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n/an/an/an/a 4.90E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078517
PNG
(7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(cc1[nH]c2=O)[N+]([O-])=O
Show InChI InChI=1S/C10H5N5O5/c16-9-8-12-7(10(17)18)13-14(8)6-2-1-4(15(19)20)3-5(6)11-9/h1-3H,(H,11,16)(H,17,18)
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n/an/an/an/a 7.80E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 8.30E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252360
PNG
((R)-2-amino-2-(1-hydroxy-1H-pyrazol-5-yl)acetic ac...)
Show SMILES N[C@@H](C(O)=O)c1ccnn1O
Show InChI InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)/t4-/m1/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 2.20E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078536
PNG
(7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]q...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C12H9ClN4O3/c1-2-20-12(19)9-15-10-11(18)14-7-5-6(13)3-4-8(7)17(10)16-9/h3-5H,2H2,1H3,(H,14,18)
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n/an/an/an/a 2.21E+4n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078510
PNG
(8-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]q...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(Cl)ccc1[nH]c2=O
Show InChI InChI=1S/C10H5ClN4O3/c11-4-1-2-5-6(3-4)15-8(9(16)12-5)13-7(14-15)10(17)18/h1-3H,(H,12,16)(H,17,18)
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n/an/an/an/a 3.25E+4n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252366
PNG
((R)-amino-(1-hydroxy-4-ethyl-pyrazol-3-yl)-acetic ...)
Show SMILES CCc1cnn(O)c1[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H11N3O3/c1-2-4-3-9-10(13)6(4)5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)/t5-/m1/s1
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n/an/an/an/a 3.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252363
PNG
((R)-amino-(1-hydroxy-4-methyl-pyrazol-3-yl)-acetic...)
Show SMILES Cc1cnn(O)c1[C@@H](N)C(O)=O
Show InChI InChI=1S/C6H9N3O3/c1-3-2-8-9(12)5(3)4(7)6(10)11/h2,4,12H,7H2,1H3,(H,10,11)/t4-/m1/s1
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n/an/an/an/a 3.60E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252365
PNG
((R,S)-amino-(1-hydroxy-4-ethyl-pyrazol-3-yl)-aceti...)
Show SMILES CCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C7H11N3O3/c1-2-4-3-9-10(13)6(4)5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
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n/an/an/an/a 4.30E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252365
PNG
((R,S)-amino-(1-hydroxy-4-ethyl-pyrazol-3-yl)-aceti...)
Show SMILES CCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C7H11N3O3/c1-2-4-3-9-10(13)6(4)5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
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n/an/an/an/a 4.70E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252359
PNG
((R,S)-2-amino-2-(1-hydroxy-1H-pyrazol-5-yl)acetic ...)
Show SMILES NC(C(O)=O)c1ccnn1O
Show InChI InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)
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PubMed
n/an/an/an/a 4.80E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252359
PNG
((R,S)-2-amino-2-(1-hydroxy-1H-pyrazol-5-yl)acetic ...)
Show SMILES NC(C(O)=O)c1ccnn1O
Show InChI InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)
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PubMed
n/an/an/an/a 5.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252434
PNG
((R)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acetic...)
Show SMILES N[C@@H](C(O)=O)c1c(Cl)cnn1O
Show InChI InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)/t3-/m1/s1
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n/an/an/an/a 5.80E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252428
PNG
((R)-amino-(1-hydroxy-4-propyl-pyrazol-3-yl)-acetic...)
Show SMILES CCCc1cnn(O)c1[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)/t6-/m1/s1
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n/an/an/an/a 6.30E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252365
PNG
((R,S)-amino-(1-hydroxy-4-ethyl-pyrazol-3-yl)-aceti...)
Show SMILES CCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C7H11N3O3/c1-2-4-3-9-10(13)6(4)5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
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n/an/an/an/a 6.80E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078530
PNG
(4-Oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C12H10N4O3/c1-2-19-12(18)9-14-10-11(17)13-7-5-3-4-6-8(7)16(10)15-9/h3-6H,2H2,1H3,(H,13,17)
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PubMed
n/an/an/an/a 6.90E+4n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50013876
PNG
(CHEMBL291278 | Methyl aspartic acid | N-Methyl asp...)
Show SMILES CN[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
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PubMed
n/an/an/an/a 7.50E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252359
PNG
((R,S)-2-amino-2-(1-hydroxy-1H-pyrazol-5-yl)acetic ...)
Show SMILES NC(C(O)=O)c1ccnn1O
Show InChI InChI=1S/C5H7N3O3/c6-4(5(9)10)3-1-2-7-8(3)11/h1-2,4,11H,6H2,(H,9,10)
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PubMed
n/an/an/an/a 8.20E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252365
PNG
((R,S)-amino-(1-hydroxy-4-ethyl-pyrazol-3-yl)-aceti...)
Show SMILES CCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C7H11N3O3/c1-2-4-3-9-10(13)6(4)5(8)7(11)12/h3,5,13H,2,8H2,1H3,(H,11,12)
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PubMed
n/an/an/an/a 9.10E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078528
PNG
(7-Chloro-5-ethyl-4-oxo-4,5-dihydro-[1,2,4]triazolo...)
Show SMILES CCn1c2cc(Cl)ccc2n2nc(nc2c1=O)C(O)=O
Show InChI InChI=1S/C12H9ClN4O3/c1-2-16-8-5-6(13)3-4-7(8)17-10(11(16)18)14-9(15-17)12(19)20/h3-5H,2H2,1H3,(H,19,20)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078511
PNG
(8-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(ccc1[n-]c2=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C10H5N5O5/c16-9-8-12-7(10(17)18)13-14(8)6-3-4(15(19)20)1-2-5(6)11-9/h1-3H,(H2,11,16,17,18)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078506
PNG
(8-Chloro-6-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(Cl)cc([N+]([O-])=O)c1[nH]c2=O
Show InChI InChI=1S/C10H4ClN5O5/c11-3-1-4-6(5(2-3)16(20)21)12-9(17)8-13-7(10(18)19)14-15(4)8/h1-2H,(H,12,17)(H,18,19)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50078509
PNG
(7-Amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES CCOC(=O)c1nc2n(n1)c1ccc(N)cc1[nH]c2=O
Show InChI InChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-5-6(13)3-4-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252427
PNG
((R,S)-amino-(1-hydroxy-4-propyl-pyrazol-3-yl)-acet...)
Show SMILES CCCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)
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PubMed
n/an/an/an/a 1.05E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252433
PNG
((R,S)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acet...)
Show SMILES NC(C(O)=O)c1c(Cl)cnn1O
Show InChI InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)
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PubMed
n/an/an/an/a 1.49E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252433
PNG
((R,S)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acet...)
Show SMILES NC(C(O)=O)c1c(Cl)cnn1O
Show InChI InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)
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PubMed
n/an/an/an/a 1.52E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252427
PNG
((R,S)-amino-(1-hydroxy-4-propyl-pyrazol-3-yl)-acet...)
Show SMILES CCCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)
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n/an/an/an/a 1.53E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252433
PNG
((R,S)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acet...)
Show SMILES NC(C(O)=O)c1c(Cl)cnn1O
Show InChI InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)
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n/an/an/an/a 2.55E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252427
PNG
((R,S)-amino-(1-hydroxy-4-propyl-pyrazol-3-yl)-acet...)
Show SMILES CCCc1cnn(O)c1C(N)C(O)=O
Show InChI InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)
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n/an/an/an/a 4.29E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50252433
PNG
((R,S)-amino-(1-hydroxy-4-chloro-pyrazol-3-yl)-acet...)
Show SMILES NC(C(O)=O)c1c(Cl)cnn1O
Show InChI InChI=1S/C5H6ClN3O3/c6-2-1-8-9(12)4(2)3(7)5(10)11/h1,3,12H,7H2,(H,10,11)
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n/an/an/an/a 5.65E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp elect...


J Med Chem 51: 4179-87 (2008)


Article DOI: 10.1021/jm800025e
BindingDB Entry DOI: 10.7270/Q28C9X5Q
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1S/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat NR1/NR2A expressed in Xenopus laevis oocytes assessed as glycine-induced maximal current by two-electrode voltag...


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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1n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- DCKA (5,7-dichlorokynurenic acid) in...


J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50284800
PNG
(((5R,6S)-9-Bromo-6-ethyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C15H15BrN2O4/c1-2-7-3-8-4-9(16)5-10-13(8)18(11(7)6-12(19)20)15(22)14(21)17-10/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)(H,19,20)/t7-,11+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)


BindingDB Entry DOI: 10.7270/Q2C24TX8
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merz Co. GmbH & Co.

Curated by PDSP Ki Database




Neuropharmacology 34: 533-40 (1995)


BindingDB Entry DOI: 10.7270/Q2M9075F
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038047
PNG
(2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...)
Show SMILES Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50038046
PNG
(2-((S)-9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-...)
Show SMILES Brc1cc2CC[C@@H](CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)/t14-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair
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