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PubMed code 12593650

Compile data set for download or QSAR
Found 11 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-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)
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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11n/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]- glycine in rat cortical membranes


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)
BDBM50073956
PNG
(CHEMBL85567 | {5-Aminomethyl-2-[2-((S)-9-chloro-2,...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(=O)c(=O)n2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C22H21ClN4O6/c23-13-6-12-2-3-14(27-20(12)16(7-13)26-21(31)22(27)32)8-18(28)25-15-4-1-11(9-24)5-17(15)33-10-19(29)30/h1,4-7,14H,2-3,8-10,24H2,(H,25,28)(H,26,31)(H,29,30)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123792
PNG
(3-[(4-Aminomethyl-2-carboxymethyl-phenylcarbamoyl)...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(CC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O5/c24-15-6-12-2-3-13(21-20(12)17(9-15)27-22(21)23(31)32)7-18(28)26-16-4-1-11(10-25)5-14(16)8-19(29)30/h1,4-6,9,13,27H,2-3,7-8,10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
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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n/an/a 2.70n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123796
PNG
(3-[(2-Carboxymethyl-phenylcarbamoyl)-methyl]-7-chl...)
Show SMILES OC(=O)Cc1ccccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C22H19ClN2O5/c23-14-7-12-5-6-13(20-19(12)16(10-14)25-21(20)22(29)30)8-17(26)24-15-4-2-1-3-11(15)9-18(27)28/h1-4,7,10,13,25H,5-6,8-9H2,(H,24,26)(H,27,28)(H,29,30)/t13-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123791
PNG
(3-[(4-Aminomethyl-phenylcarbamoyl)-methyl]-7-chlor...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)cc1
Show InChI InChI=1S/C21H20ClN3O3/c22-14-7-12-3-4-13(19-18(12)16(9-14)25-20(19)21(27)28)8-17(26)24-15-5-1-11(10-23)2-6-15/h1-2,5-7,9,13,25H,3-4,8,10,23H2,(H,24,26)(H,27,28)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123795
PNG
(7-Chloro-3-phenylcarbamoylmethyl-1,3,4,5-tetrahydr...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc3CC[C@@H](CC(=O)Nc4ccccc4)c1c23
Show InChI InChI=1S/C20H17ClN2O3/c21-13-8-11-6-7-12(9-16(24)22-14-4-2-1-3-5-14)18-17(11)15(10-13)23-19(18)20(25)26/h1-5,8,10,12,23H,6-7,9H2,(H,22,24)(H,25,26)/t12-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123794
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-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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)
BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...


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
* indicates data uncertainty>20%