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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM50079387'   
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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method


Bioorg Med Chem 22: 6638-46 (2015)


Article DOI: 10.1016/j.bmc.2014.10.004
BindingDB Entry DOI: 10.7270/Q2ZW1NH7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from recombinant human GluN2B expressed in mouse L(tk-) cell membranes incubated for 120 mins by microbeta scintillati...


Eur J Med Chem 116: 136-146 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.065
BindingDB Entry DOI: 10.7270/Q261126Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins measured for 5 m...


Eur J Med Chem 144: 672-681 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.054
BindingDB Entry DOI: 10.7270/Q2B56NDZ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112138
BindingDB Entry DOI: 10.7270/Q2D50RKS
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillatio...


Bioorg Med Chem 27: 3559-3567 (2019)


Article DOI: 10.1016/j.bmc.2019.06.035
BindingDB Entry DOI: 10.7270/Q2HX1H05
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115245
BindingDB Entry DOI: 10.7270/Q2N01B2X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50079387
PNG
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)
Show SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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13n/an/an/an/an/an/an/an/a



University Munster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation countin...


Bioorg Med Chem Lett 25: 5748-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.076
BindingDB Entry DOI: 10.7270/Q2639SQV
More data for this
Ligand-Target Pair