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PubMed code 22050212

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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50361661
PNG
(CHEMBL1940484)
Show SMILES Oc1ccc2[nH]cc(C(=O)CN3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C21H23N3O2/c25-17-6-7-20-18(12-17)19(13-22-20)21(26)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13,22,25H,8-11,14-15H2
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437n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
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 GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
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 GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361654
PNG
(CHEMBL1940477)
Show SMILES COc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C23H26N2O2/c1-27-22-9-5-8-20-23(22)19(15-24-20)21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18,24H,10-14,16H2,1H3
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n/an/a 324n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361659
PNG
(CHEMBL1940597)
Show SMILES Oc1cccc2c(c[nH]c12)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H22N2O3/c25-19-8-4-7-17-18(14-23-20(17)19)21(26)22(27)24-11-9-16(10-12-24)13-15-5-2-1-3-6-15/h1-8,14,16,23,25H,9-13H2
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n/an/a 1.99E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361656
PNG
(CHEMBL1940479)
Show SMILES COc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N2O2/c1-27-22-9-5-8-19-20(15-24-23(19)22)21(26)16-25-12-10-18(11-13-25)14-17-6-3-2-4-7-17/h2-9,15,18,24H,10-14,16H2,1H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361655
PNG
(CHEMBL1940478)
Show SMILES Oc1cccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H24N2O2/c25-20-8-4-7-19-22(20)18(14-23-19)21(26)15-24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14,17,23,25H,9-13,15H2
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n/an/a 6.64E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50361657
PNG
(CHEMBL1940480)
Show SMILES Oc1cccc2c(c[nH]c12)C(=O)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N2O2/c25-20-8-4-7-18-19(14-23-22(18)20)21(26)15-24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14,17,23,25H,9-13,15H2
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n/an/a 7.14E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting


J Med Chem 54: 8702-6 (2011)


Article DOI: 10.1021/jm2008002
BindingDB Entry DOI: 10.7270/Q2ZW1MBK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%