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PubMed code 14552795

Compile data set for download or QSAR
Found 13 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] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50204884
PNG
(6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfin...)
Show SMILES Fc1ccc(CC2CCN(CCS(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)
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n/an/a 8n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134652
PNG
((4-Benzyl-piperidin-1-yl)-(4,6-dihydroxy-1H-indol-...)
Show SMILES Oc1cc(O)c2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O3/c24-16-11-18-17(20(25)12-16)13-19(22-18)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2
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n/an/a 10n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134648
PNG
((6-Hydroxy-1H-indol-2-yl)-(4-phenoxymethyl-piperid...)
Show SMILES Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(COc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-15(9-11-23)14-26-18-4-2-1-3-5-18/h1-7,12-13,15,22,24H,8-11,14H2
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n/an/a 19n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134651
PNG
((4-Benzyl-piperidin-1-yl)-(6-hydroxy-1H-indol-2-yl...)
Show SMILES Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O2/c24-18-7-6-17-13-20(22-19(17)14-18)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2
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n/an/a 20n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134649
PNG
((6-Hydroxy-1H-indol-2-yl)-(4-phenethyl-piperidin-1...)
Show SMILES Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24N2O2/c25-19-9-8-18-14-21(23-20(18)15-19)22(26)24-12-10-17(11-13-24)7-6-16-4-2-1-3-5-16/h1-5,8-9,14-15,17,23,25H,6-7,10-13H2
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n/an/a 24n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134653
PNG
((4-Benzyl-piperidin-1-yl)-(4-hydroxy-1H-indol-2-yl...)
Show SMILES Oc1cccc2[nH]c(cc12)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O2/c24-20-8-4-7-18-17(20)14-19(22-18)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2
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n/an/a 39n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134657
PNG
((4-Benzyl-piperidin-1-yl)-(5-hydroxy-1H-indol-2-yl...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O2/c24-18-6-7-19-17(13-18)14-20(22-19)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16,22,24H,8-12H2
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n/an/a 40n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134656
PNG
((4-Benzyloxy-piperidin-1-yl)-(6-hydroxy-1H-indol-2...)
Show SMILES Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)OCc1ccccc1
Show InChI InChI=1S/C21H22N2O3/c24-17-7-6-16-12-20(22-19(16)13-17)21(25)23-10-8-18(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,18,22,24H,8-11,14H2
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n/an/a 46n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134654
PNG
((4-Benzyl-piperidin-1-yl)-(5,7-dihydroxy-1H-indol-...)
Show SMILES Oc1cc(O)c2[nH]c(cc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O3/c24-17-11-16-12-18(22-20(16)19(25)13-17)21(26)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15,22,24-25H,6-10H2
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n/an/a 52n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134650
PNG
((4-Benzyl-piperidin-1-yl)-(7-hydroxy-1H-indol-2-yl...)
Show SMILES Oc1cccc2cc([nH]c12)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N2O2/c24-19-8-4-7-17-14-18(22-20(17)19)21(25)23-11-9-16(10-12-23)13-15-5-2-1-3-6-15/h1-8,14,16,22,24H,9-13H2
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n/an/a 77n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50080016
PNG
((E)-1-(4-Benzyl-piperidin-1-yl)-3-(4-hydroxy-pheny...)
Show SMILES Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H23NO2/c23-20-9-6-17(7-10-20)8-11-21(24)22-14-12-19(13-15-22)16-18-4-2-1-3-5-18/h1-11,19,23H,12-16H2/b11-8+
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n/an/a 104n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50134655
PNG
((6-Hydroxy-1H-indol-2-yl)-(4-phenyl-piperidin-1-yl...)
Show SMILES Oc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-17-7-6-16-12-19(21-18(16)13-17)20(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15,21,23H,8-11H2
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n/an/a>8.00E+3n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B


Bioorg Med Chem Lett 13: 3859-61 (2003)


Article DOI: 10.1016/s0960-894x(03)00708-x
BindingDB Entry DOI: 10.7270/Q2TH8M32
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%