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PubMed code 19157884

Compile data set for download or QSAR
Found 5 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))
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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UniChem

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Article
PubMed
23n/an/an/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 1640-7 (2009)


Article DOI: 10.1016/j.bmc.2008.12.058
BindingDB Entry DOI: 10.7270/Q2D21XGV
More data for this
Ligand-Target Pair
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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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 1640-7 (2009)


Article DOI: 10.1016/j.bmc.2008.12.058
BindingDB Entry DOI: 10.7270/Q2D21XGV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 1640-7 (2009)


Article DOI: 10.1016/j.bmc.2008.12.058
BindingDB Entry DOI: 10.7270/Q2D21XGV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50277043
PNG
(2-(4-benzylpiperidin-1-yl)-1-(1H-indol-3-yl)ethano...)
Show SMILES O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H24N2O/c25-22(20-15-23-21-9-5-4-8-19(20)21)16-24-12-10-18(11-13-24)14-17-6-2-1-3-7-17/h1-9,15,18,23H,10-14,16H2
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PubMed
n/an/a 769n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 1640-7 (2009)


Article DOI: 10.1016/j.bmc.2008.12.058
BindingDB Entry DOI: 10.7270/Q2D21XGV
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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.66E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 1640-7 (2009)


Article DOI: 10.1016/j.bmc.2008.12.058
BindingDB Entry DOI: 10.7270/Q2D21XGV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%