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PubMed code 16782335

Compile data set for download or QSAR
Found 18 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
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189391
PNG
((5-hydroxy-1H-benzo[d]imidazol-2-yl)(4-(p-tolyloxy...)
Show SMILES Cc1ccc(OC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
Show InChI InChI=1S/C20H21N3O3/c1-13-2-5-15(6-3-13)26-16-8-10-23(11-9-16)20(25)19-21-17-7-4-14(24)12-18(17)22-19/h2-7,12,16,24H,8-11H2,1H3,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189380
PNG
(CHEMBL215372 | N-(2-(4-benzylpiperidine-1-carbonyl...)
Show SMILES CS(=O)(=O)Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H24N4O3S/c1-29(27,28)24-17-7-8-18-19(14-17)23-20(22-18)21(26)25-11-9-16(10-12-25)13-15-5-3-2-4-6-15/h2-8,14,16,24H,9-13H2,1H3,(H,22,23)
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n/an/a 3n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189383
PNG
((4-(3-methoxybenzyl)piperidin-1-yl)(5-hydroxy-1H-b...)
Show SMILES COc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
Show InChI InChI=1S/C21H23N3O3/c1-27-17-4-2-3-15(12-17)11-14-7-9-24(10-8-14)21(26)20-22-18-6-5-16(25)13-19(18)23-20/h2-6,12-14,25H,7-11H2,1H3,(H,22,23)
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n/an/a 3.20n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50204862
PNG
(CHEMBL436521 | N-(2-((4-benzylpiperidin-1-yl)methy...)
Show SMILES CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23)
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n/an/a 3.5n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189385
PNG
((4-(4-fluorobenzyl)piperidin-1-yl)(5-hydroxy-1H-be...)
Show SMILES Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H20FN3O2/c21-15-3-1-13(2-4-15)11-14-7-9-24(10-8-14)20(26)19-22-17-6-5-16(25)12-18(17)23-19/h1-6,12,14,25H,7-11H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50241126
PNG
((4-benzylpiperidin-1-yl)(5-hydroxy-1H-benzo[d]imid...)
Show SMILES Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H21N3O2/c24-16-6-7-17-18(13-16)22-19(21-17)20(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,13,15,24H,8-12H2,(H,21,22)
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n/an/a 4n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
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 4n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50241129
PNG
((5-hydroxy-1H-benzoimidazol-2-yl)-[4-(4-methyl-ben...)
Show SMILES Cc1ccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)cc1
Show InChI InChI=1S/C21H23N3O2/c1-14-2-4-15(5-3-14)12-16-8-10-24(11-9-16)21(26)20-22-18-7-6-17(25)13-19(18)23-20/h2-7,13,16,25H,8-12H2,1H3,(H,22,23)
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n/an/a 4.40n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50241127
PNG
((5-hydroxy-1H-benzoimidazol-2-yl)-[4-(3-methyl-ben...)
Show SMILES Cc1cccc(CC2CCN(CC2)C(=O)c2nc3ccc(O)cc3[nH]2)c1
Show InChI InChI=1S/C21H23N3O2/c1-14-3-2-4-16(11-14)12-15-7-9-24(10-8-15)21(26)20-22-18-6-5-17(25)13-19(18)23-20/h2-6,11,13,15,25H,7-10,12H2,1H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50241128
PNG
((4-(3-fluorobenzyl)piperidin-1-yl)(5-hydroxy-1H-be...)
Show SMILES Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C20H20FN3O2/c21-15-3-1-2-14(11-15)10-13-6-8-24(9-7-13)20(26)19-22-17-5-4-16(25)12-18(17)23-19/h1-5,11-13,25H,6-10H2,(H,22,23)
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n/an/a 5.20n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
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 6n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189388
PNG
((4-(4-fluorophenoxy)piperidin-1-yl)(5-hydroxy-1H-b...)
Show SMILES Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O3/c20-12-1-4-14(5-2-12)26-15-7-9-23(10-8-15)19(25)18-21-16-6-3-13(24)11-17(16)22-18/h1-6,11,15,24H,7-10H2,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189384
PNG
((5-hydroxy-1H-benzoimidazol-2-yl)-[4-(2-methyl-ben...)
Show SMILES Cc1ccccc1CC1CCN(CC1)C(=O)c1nc2ccc(O)cc2[nH]1
Show InChI InChI=1S/C21H23N3O2/c1-14-4-2-3-5-16(14)12-15-8-10-24(11-9-15)21(26)20-22-18-7-6-17(25)13-19(18)23-20/h2-7,13,15,25H,8-12H2,1H3,(H,22,23)
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n/an/a 8.40n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189389
PNG
((4-benzylpiperidin-1-yl)(4-hydroxy-1H-benzo[d]imid...)
Show SMILES Oc1cccc2[nH]c(nc12)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H21N3O2/c24-17-8-4-7-16-18(17)22-19(21-16)20(25)23-11-9-15(10-12-23)13-14-5-2-1-3-6-14/h1-8,15,24H,9-13H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
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 12n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189387
PNG
((4-(4-chlorophenoxy)piperidin-1-yl)(5-hydroxy-1H-b...)
Show SMILES Oc1ccc2nc([nH]c2c1)C(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O3/c20-12-1-4-14(5-2-12)26-15-7-9-23(10-8-15)19(25)18-21-16-6-3-13(24)11-17(16)22-18/h1-6,11,15,24H,7-10H2,(H,21,22)
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n/an/a 14n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50189390
PNG
((5-amino-1H-benzo[d]imidazol-2-yl)(4-benzylpiperid...)
Show SMILES Nc1ccc2nc([nH]c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22N4O/c21-16-6-7-17-18(13-16)23-19(22-17)20(25)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,21H2,(H,22,23)
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n/an/a 143n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
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 196n/an/an/an/an/an/a



Gedeon Richter Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane


Bioorg Med Chem Lett 16: 4638-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.002
BindingDB Entry DOI: 10.7270/Q2V69J7M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%