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PubMed code 15225705

Compile data set for download or QSAR
Found 19 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)
BDBM50149693
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-...)
Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C21H21FN4O3/c22-15-3-1-13(2-4-15)11-14-7-9-26(10-8-14)20(28)19(27)23-16-5-6-17-18(12-16)25-21(29)24-17/h1-6,12,14H,7-11H2,(H,23,27)(H2,24,25,29)
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n/an/a 2n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149695
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dih...)
Show SMILES O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149684
PNG
(2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-...)
Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
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n/an/a 4n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50079385
PNG
(1-[2-(4-Hydroxy-phenoxy)-ethyl]-4-(4-methyl-benzyl...)
Show SMILES Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C21H27NO3/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20/h2-9,23-24H,10-16H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149689
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dih...)
Show SMILES O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H22N4O3/c26-19(22-16-6-7-17-18(13-16)24-21(28)23-17)20(27)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,26)(H2,23,24,28)
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149687
PNG
(2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-N-(2...)
Show SMILES Clc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C20H19ClN4O4/c21-12-1-4-14(5-2-12)29-15-7-9-25(10-8-15)19(27)18(26)22-13-3-6-16-17(11-13)24-20(28)23-16/h1-6,11,15H,7-10H2,(H,22,26)(H2,23,24,28)
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149685
PNG
(2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-N-(2...)
Show SMILES Clc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
Show InChI InChI=1S/C20H18ClN3O5/c21-12-1-4-14(5-2-12)28-15-7-9-24(10-8-15)19(26)18(25)22-13-3-6-16-17(11-13)29-20(27)23-16/h1-6,11,15H,7-10H2,(H,22,25)(H,23,27)
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n/an/a 7n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
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 NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149691
PNG
(2-Oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-2-(4...)
Show SMILES Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1
Show InChI InChI=1S/C21H21N3O4S/c1-13-2-5-15(6-3-13)28-16-8-10-24(11-9-16)20(26)19(25)22-14-4-7-17-18(12-14)29-21(27)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)(H,23,27)
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149692
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dih...)
Show SMILES O=C(Nc1ccc2[nH]c(=O)sc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H21N3O3S/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)
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n/an/a 9n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149697
PNG
(2-Oxo-N-(2-thioxo-2,3-dihydro-1H-benzoimidazol-5-y...)
Show SMILES Cc1ccc(OC2CCN(CC2)C(=O)C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)cc1
Show InChI InChI=1S/C21H22N4O3S/c1-13-2-5-15(6-3-13)28-16-8-10-25(11-9-16)20(27)19(26)22-14-4-7-17-18(12-14)24-21(29)23-17/h2-7,12,16H,8-11H2,1H3,(H,22,26)(H2,23,24,29)
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n/an/a 10n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149694
PNG
(2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-2-oxo-N-(2-...)
Show SMILES Cc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3NC(=O)Cc3c2)cc1
Show InChI InChI=1S/C23H25N3O3/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-19-6-7-20-18(13-19)14-21(27)25-20/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)
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n/an/a 15n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149696
PNG
(2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-2-oxo-N-(3-...)
Show SMILES Cc1ccc(CC2CCN(CC2)C(=O)C(=O)Nc2ccc3NC(=O)COc3c2)cc1
Show InChI InChI=1S/C23H25N3O4/c1-15-2-4-16(5-3-15)12-17-8-10-26(11-9-17)23(29)22(28)24-18-6-7-19-20(13-18)30-14-21(27)25-19/h2-7,13,17H,8-12,14H2,1H3,(H,24,28)(H,25,27)
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n/an/a 18n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149688
PNG
(2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dih...)
Show SMILES O=C(Nc1ccc2NC(=O)OCc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)
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Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149690
PNG
(2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2...)
Show SMILES Oc1ccc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)
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n/an/a 31n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
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 42n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50149686
PNG
(6-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propiony...)
Show SMILES Fc1ccc(CC2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)
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n/an/a 48n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
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 NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor


Bioorg Med Chem Lett 14: 3953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.053
BindingDB Entry DOI: 10.7270/Q2FT8KG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%