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PubMed code 24411196

Compile data set for download or QSAR
Found 8 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))
BDBM50445988
PNG
(CHEMBL3103124)
Show SMILES Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2cc1O
Show InChI InChI=1S/C22H24N2O3/c25-20-11-17-18(13-23-19(17)12-21(20)26)22(27)14-24-8-6-16(7-9-24)10-15-4-2-1-3-5-15/h1-5,11-13,16,23,25-26H,6-10,14H2
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PubMed
n/an/a 5.5n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445989
PNG
(CHEMBL3103126)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H23FN2O2/c23-17-3-1-15(2-4-17)11-16-7-9-25(10-8-16)14-22(27)20-13-24-21-12-18(26)5-6-19(20)21/h1-6,12-13,16,24,26H,7-11,14H2
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PubMed
n/an/a 9.10n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445990
PNG
(CHEMBL3103129)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H26FN3O3S/c1-31(29,30)26-19-6-7-20-21(14-25-22(20)13-19)23(28)15-27-10-8-17(9-11-27)12-16-2-4-18(24)5-3-16/h2-7,13-14,17,25-26H,8-12,15H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445991
PNG
(CHEMBL3103134)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H24FN3O4S/c1-32(30,31)26-18-6-7-19-20(14-25-21(19)13-18)22(28)23(29)27-10-8-16(9-11-27)12-15-2-4-17(24)5-3-15/h2-7,13-14,16,25-26H,8-12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445992
PNG
(CHEMBL3102861)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H21FN2O3/c23-16-3-1-14(2-4-16)11-15-7-9-25(10-8-15)22(28)21(27)19-13-24-20-12-17(26)5-6-18(19)20/h1-6,12-13,15,24,26H,7-11H2
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(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
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445993
PNG
(CHEMBL3103127)
Show SMILES Oc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2cc1O
Show InChI InChI=1S/C22H23FN2O3/c23-16-3-1-14(2-4-16)9-15-5-7-25(8-6-15)13-22(28)18-12-24-19-11-21(27)20(26)10-17(18)19/h1-4,10-12,15,24,26-27H,5-9,13H2
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50445987
PNG
(CHEMBL3103125)
Show SMILES Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1
Show InChI InChI=1S/C22H23FN2O2/c23-17-3-1-15(2-4-17)11-16-7-9-25(10-8-16)14-22(27)20-13-24-21-6-5-18(26)12-19(20)21/h1-6,12-13,16,24,26H,7-11,14H2
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex


Bioorg Med Chem 22: 1040-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.040
BindingDB Entry DOI: 10.7270/Q29888GS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%