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PubMed code 14695840

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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 receptor ionotropic, NMDA 1


(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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 90n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138141
PNG
(8-Amino-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4...)
Show SMILES Nc1cc2c(cc1C(F)(F)F)[nH]c(=O)c1nc(nn21)C(O)=O
Show InChI InChI=1S/C11H6F3N5O3/c12-11(13,14)3-1-5-6(2-4(3)15)19-8(9(20)16-5)17-7(18-19)10(21)22/h1-2H,15H2,(H,16,20)(H,21,22)
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 1.50E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138132
PNG
(8-(3-Formyl-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-4...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1ccc(C=O)c1
Show InChI InChI=1S/C16H8F3N5O4/c17-16(18,19)8-3-9-11(4-10(8)23-2-1-7(5-23)6-25)24-13(14(26)20-9)21-12(22-24)15(27)28/h1-6H,(H,20,26)(H,27,28)
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 2.60E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138152
PNG
(8-Amino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[...)
Show SMILES Nc1cc2c(cc1[N+]([O-])=O)[n-]c(=[OH+])c1nc(nn21)C(O)=O
Show InChI InChI=1S/C10H6N6O5/c11-3-1-6-4(2-5(3)16(20)21)12-9(17)8-13-7(10(18)19)14-15(6)8/h1-2H,(H4,11,12,13,14,17,18,19)
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 2.70E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138131
PNG
(4-Oxo-8-[1,2,4]triazol-4-yl-7-trifluoromethyl-4,5-...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1cnnc1
Show InChI InChI=1S/C13H6F3N7O3/c14-13(15,16)5-1-6-8(2-7(5)22-3-17-18-4-22)23-10(11(24)19-6)20-9(21-23)12(25)26/h1-4H,(H,19,24)(H,25,26)
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 3.60E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138148
PNG
(8-Amino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(N)c(cc1[n-]c2=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C12H10N6O5/c1-2-23-12(20)9-15-10-11(19)14-6-4-7(18(21)22)5(13)3-8(6)17(10)16-9/h3-4H,2H2,1H3,(H3,13,14,15,16,19,20)
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 3.70E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138150
PNG
(8-Nitro-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[n-]c2=[OH+])C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H4F3N5O5/c12-11(13,14)3-1-4-6(2-5(3)19(23)24)18-8(9(20)15-4)16-7(17-18)10(21)22/h1-2H,(H2,15,20,21,22)
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 4.40E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138136
PNG
(8-Amino-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(N)c(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C13H10F3N5O3/c1-2-24-12(23)9-19-10-11(22)18-7-3-5(13(14,15)16)6(17)4-8(7)21(10)20-9/h3-4H,2,17H2,1H3,(H,18,22)
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 5.50E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138129
PNG
(4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1cccc1
Show InChI InChI=1S/C15H8F3N5O3/c16-15(17,18)7-5-8-10(6-9(7)22-3-1-2-4-22)23-12(13(24)19-8)20-11(21-23)14(25)26/h1-6H,(H,19,24)(H,25,26)
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 8.30E+3n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138139
PNG
(8-(3-Formyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-4-o...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(N3C(=O)C=C(C=O)C3=O)c(cc1[nH]c2=O)C(F)(F)F |t:17|
Show InChI InChI=1S/C18H10F3N5O6/c1-2-32-17(31)13-23-14-15(29)22-9-4-8(18(19,20)21)10(5-11(9)26(14)24-13)25-12(28)3-7(6-27)16(25)30/h3-6H,2H2,1H3,(H,22,29)
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 1.09E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50092637
PNG
(7-Chloro-4-oxo-8-[1,2,4]triazol-4-yl-4,5-dihydro-[...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(Cl)cc1[nH]c2=O)-n1cnnc1
Show InChI InChI=1S/C12H6ClN7O3/c13-5-1-6-8(2-7(5)19-3-14-15-4-19)20-10(11(21)16-6)17-9(18-20)12(22)23/h1-4H,(H,16,21)(H,22,23)
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 3.35E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138144
PNG
(8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydr...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1ccnc1
Show InChI InChI=1S/C14H7F3N6O3/c15-14(16,17)6-3-7-9(4-8(6)22-2-1-18-5-22)23-11(12(24)19-7)20-10(21-23)13(25)26/h1-5H,(H,19,24)(H,25,26)
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 3.40E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138146
PNG
(8-(3-Carboxy-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-...)
Show SMILES OC(=O)c1ccn(c1)-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c1nc(nn21)C(O)=O
Show InChI InChI=1S/C16H8F3N5O5/c17-16(18,19)7-3-8-10(4-9(7)23-2-1-6(5-23)14(26)27)24-12(13(25)20-8)21-11(22-24)15(28)29/h1-5H,(H,20,25)(H,26,27)(H,28,29)
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 3.50E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138147
PNG
(8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydr...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1ccnc1
Show InChI InChI=1S/C16H11F3N6O3/c1-2-28-15(27)12-22-13-14(26)21-9-5-8(16(17,18)19)10(24-4-3-20-7-24)6-11(9)25(13)23-12/h3-7H,2H2,1H3,(H,21,26)
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 5.40E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138149
PNG
(8-Nitro-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(c(cc1[n-]c2=[OH+])C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C13H8F3N5O5/c1-2-26-12(23)9-18-10-11(22)17-6-3-5(13(14,15)16)7(21(24)25)4-8(6)20(10)19-9/h3-4H,2H2,1H3,(H,17,22)
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 6.20E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138138
PNG
(8-Acetylamino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]tri...)
Show SMILES CC(=O)Nc1cc2c(cc1[N+]([O-])=O)[n-]c(=[OH+])c1nc(nn21)C(O)=O
Show InChI InChI=1S/C12H8N6O6/c1-4(19)13-6-2-7-5(3-8(6)18(23)24)14-11(20)10-15-9(12(21)22)16-17(7)10/h2-3H,1H3,(H3,13,14,15,16,19,20,21,22)
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 6.30E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138133
PNG
(7-Nitro-4-oxo-8-pyrrol-1-yl-4,5-dihydro-[1,2,4]tri...)
Show SMILES OC(=O)c1nc2n(n1)c1cc(c(cc1[n-]c2=[OH+])[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C14H8N6O5/c21-13-12-16-11(14(22)23)17-19(12)8-6-9(18-3-1-2-4-18)10(20(24)25)5-7(8)15-13/h1-6H,(H2,15,21,22,23)
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 6.50E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138130
PNG
(8-(3-Formyl-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-4...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1ccc(C=O)c1
Show InChI InChI=1S/C18H12F3N5O4/c1-2-30-17(29)14-23-15-16(28)22-11-5-10(18(19,20)21)12(6-13(11)26(15)24-14)25-4-3-9(7-25)8-27/h3-8H,2H2,1H3,(H,22,28)
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 7.10E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138145
PNG
(4-Oxo-8-pyrrol-1-yl-7-trifluoromethyl-4,5-dihydro-...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(c(cc1[nH]c2=O)C(F)(F)F)-n1cccc1
Show InChI InChI=1S/C17H12F3N5O3/c1-2-28-16(27)13-22-14-15(26)21-10-7-9(17(18,19)20)11(24-5-3-4-6-24)8-12(10)25(14)23-13/h3-8H,2H2,1H3,(H,21,26)
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 7.50E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138140
PNG
(7-Nitro-4-oxo-8-pyrrol-1-yl-4,5-dihydro-[1,2,4]tri...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(c(cc1[n-]c2=[OH+])[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C16H12N6O5/c1-2-27-16(24)13-18-14-15(23)17-9-7-12(22(25)26)11(20-5-3-4-6-20)8-10(9)21(14)19-13/h3-8H,2H2,1H3,(H,17,23)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
 8.40E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50138142
PNG
(8-Acetylamino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]tri...)
Show SMILES CCOC(=O)c1nc2n(n1)c1cc(NC(C)=O)c(cc1[n-]c2=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C14H12N6O6/c1-3-26-14(23)11-17-12-13(22)16-7-5-10(20(24)25)8(15-6(2)21)4-9(7)19(12)18-11/h4-5H,3H2,1-2H3,(H2,15,16,17,18,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
 8.50E+4n/an/an/an/an/an/an/an/a



Universita'degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]-Gly as radioligan...

J Med Chem 47: 262-72 (2003)


Article DOI: 10.1021/jm030906q
BindingDB Entry DOI: 10.7270/Q2668CM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%