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PubMed code 23140383

Compile data set for download or QSAR
Found 12 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 receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50399926
PNG
(CHEMBL2180989)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H27N3O3S/c1-30(28,29)25-19-7-8-20-21(15-24-22(20)14-19)23(27)16-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24-25H,9-13,16H2,1H3
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n/an/a 8.90n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-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 |r|
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 9n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA receptor NR1C/NR2B subunit expressed in Xenopus laevis oocytes after 2 days by two-electrode voltage-clamp electrophysiologica...


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361658
PNG
(CHEMBL1940482)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N2O2/c25-18-6-7-19-20(14-23-21(19)13-18)22(26)15-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-14,17,23,25H,8-12,15H2
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n/an/a 17n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-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 |r|
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 17n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of rat NMDA receptor NR1F/NR2B subunit expressed in Xenopus laevis oocytes after 2 days by two-electrode voltage-clamp electrophysiologica...


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(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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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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361660
PNG
(CHEMBL1940599)
Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H22N2O3/c25-17-6-7-18-19(14-23-20(18)13-17)21(26)22(27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,23,25H,8-12H2
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n/an/a 22n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50276976
PNG
(2-(4-benzylpiperidin-1-yl)-1-(5-hydroxy-1Hindol-3-...)
Show SMILES Oc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H24N2O2/c25-18-6-7-21-19(13-18)20(14-23-21)22(26)15-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-14,17,23,25H,8-12,15H2
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n/an/a 25n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50399925
PNG
(CHEMBL2181206)
Show SMILES CS(=O)(=O)Nc1ccc2c(c[nH]c2c1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O4S/c1-31(29,30)25-18-7-8-19-20(15-24-21(19)14-18)22(27)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16/h2-8,14-15,17,24-25H,9-13H2,1H3
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n/an/a 63n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50399927
PNG
(CHEMBL2180988)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C23H27N3O3S/c1-30(28,29)25-19-7-8-22-20(14-19)21(15-24-22)23(27)16-26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h2-8,14-15,18,24-25H,9-13,16H2,1H3
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n/an/a 320n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50399929
PNG
(CHEMBL2180986)
Show SMILES Nc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H25N3O/c23-18-6-7-21-19(13-18)20(14-24-21)22(26)15-25-10-8-17(9-11-25)12-16-4-2-1-3-5-16/h1-7,13-14,17,24H,8-12,15,23H2
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n/an/a 1.18E+3n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50399928
PNG
(CHEMBL2180987)
Show SMILES Nc1ccc2c(c[nH]c2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O/c23-18-6-7-19-20(14-24-21(19)13-18)22(26)15-25-10-8-17(9-11-25)12-16-4-2-1-3-5-16/h1-7,13-14,17,24H,8-12,15,23H2
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n/an/a 2.27E+3n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50276978
PNG
(1-(4-benzylpiperidin-1-yl)-2-(5-hydroxy-1Hindol-3-...)
Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H22N2O3/c25-17-6-7-20-18(13-17)19(14-23-20)21(26)22(27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,23,25H,8-12H2
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n/an/a 2.66E+3n/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 after 120 mins


J Med Chem 55: 10532-9 (2012)


Article DOI: 10.1021/jm301508d
BindingDB Entry DOI: 10.7270/Q2RN3919
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%