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PubMed code 22554495

Compile data set for download or QSAR
Found 10 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))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 1.90n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain olfactory tubercle


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 9.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain hippocampus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 5.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain straitum


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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n/an/an/a 15.2n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain thalamus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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PubMed
n/an/an/a 9.80n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain cortex


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
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PubMed
n/an/an/a 9.30n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain straitum


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain cortex


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
PDB

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PubMed
n/an/an/a 7.10n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain hippocampus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385168
PNG
(CHEMBL2036514)
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17+/m0/s1
PDB

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PubMed
n/an/an/a 5.40n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain thalamus


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50385169
PNG
(CHEMBL2036513)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1
Show InChI InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
PDB

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CHEMBL
PC cid
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Article
PubMed
n/an/an/a 5.90n/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain olfactory tubercle


Eur J Med Chem 53: 408-15 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.011
BindingDB Entry DOI: 10.7270/Q20Z749M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%