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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'alarcon' and Initial = 'k'   
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))
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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11n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377833
PNG
(CHEMBL413998)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C21H26N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15,22H2,1H3
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58n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377825
PNG
(CHEMBL258032)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-8-6-18(7-9-19)20(23)15-21-12-10-17(11-13-21)14-16-4-2-1-3-5-16/h1-9,17,20,22-23H,10-15H2
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62n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377834
PNG
(CHEMBL401882)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C23H28N2O2/c1-17(23(27)21-8-10-22(11-9-21)24-18(2)26)25-14-12-20(13-15-25)16-19-6-4-3-5-7-19/h3-11,17,20H,12-16H2,1-2H3,(H,24,26)
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107n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377828
PNG
(CHEMBL257783)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23NO2/c22-19-8-6-18(7-9-19)20(23)15-21-12-10-17(11-13-21)14-16-4-2-1-3-5-16/h1-9,17,22H,10-15H2
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141n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377827
PNG
(CHEMBL257989)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H22N2O4/c23-19-7-3-17(4-8-19)20(24)14-21-11-9-16(10-12-21)13-15-1-5-18(6-2-15)22(25)26/h1-8,16,23H,9-14H2
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200n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377826
PNG
(CHEMBL402979)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2
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245n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377829
PNG
(CHEMBL255895)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N2O3/c1-17(22(25)20-7-9-21(10-8-20)24(26)27)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,19H,1,11-16H2
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248n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377831
PNG
(CHEMBL255697)
Show SMILES CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H28N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15,22H2,1H3
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300n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377831
PNG
(CHEMBL255697)
Show SMILES CC(C(O)c1ccc(N)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H28N2O/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15,22H2,1H3
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300n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377832
PNG
(CHEMBL401688)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
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493n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377830
PNG
(CHEMBL401806)
Show SMILES COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3
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527n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50377835
PNG
(CHEMBL256083)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)N=C=S
Show InChI InChI=1S/C22H24N2OS/c1-17(22(25)20-7-9-21(10-8-20)23-16-26)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,19H,11-15H2,1H3
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679n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50377832
PNG
(CHEMBL401688)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50377826
PNG
(CHEMBL402979)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
BDBM50377826
PNG
(CHEMBL402979)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50377830
PNG
(CHEMBL401806)
Show SMILES COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50377832
PNG
(CHEMBL401688)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal domain truncated NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced curren...


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens)
BDBM50377826
PNG
(CHEMBL402979)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2
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n/an/a 5.70E+5n/an/an/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal domain truncated NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced curren...


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
BDBM50377832
PNG
(CHEMBL401688)
Show SMILES CC(N1CCC(Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C23H27ClN2O2/c1-17(23(28)20-7-9-21(10-8-20)25-22(27)16-24)26-13-11-19(12-14-26)15-18-5-3-2-4-6-18/h2-10,17,19H,11-16H2,1H3,(H,25,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Activity at NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
BDBM50377826
PNG
(CHEMBL402979)
Show SMILES Oc1ccc(cc1)C(=O)CN1CCC(Cc2ccc(cc2)N=C=S)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-20-7-3-18(4-8-20)21(25)14-23-11-9-17(10-12-23)13-16-1-5-19(6-2-16)22-15-26/h1-8,17,24H,9-14H2
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PC cid
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UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Activity at NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
BDBM50377830
PNG
(CHEMBL401806)
Show SMILES COc1ccc(cc1)C(=O)C(=C)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27NO2/c1-18(23(25)21-8-10-22(26-2)11-9-21)17-24-14-12-20(13-15-24)16-19-6-4-3-5-7-19/h3-11,20H,1,12-17H2,2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ Louis Pasteur de Strasbourg

Curated by ChEMBL


Assay Description
Activity at NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response


Bioorg Med Chem Lett 18: 2765-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.019
BindingDB Entry DOI: 10.7270/Q21C1XR4
More data for this
Ligand-Target Pair