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PubMed code 18499305

Compile data set for download or QSAR
Found 11 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))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50267352
PNG
((-)-[(2R)-(1,4-Dibenzyl)-1,4-diazepan-2-yl]methano...)
Show SMILES OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(14-18-8-3-1-4-9-18)12-7-13-22(20)15-19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2/t20-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50267386
PNG
((R)-(1,4-dibenzylpiperazin-2-yl)methanol | CHEMBL4...)
Show SMILES OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C19H24N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,19,22H,11-16H2/t19-/m1/s1
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38n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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164n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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265n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50267353
PNG
((-)-[(2R)-1-Benzyl-4-(2,2-dimethoxyethyl)-1,4-diaz...)
Show SMILES COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
Show InChI InChI=1S/C17H28N2O3/c1-21-17(22-2)13-18-9-6-10-19(16(12-18)14-20)11-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,6,9-14H2,1-2H3/t16-/m1/s1
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320n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50267387
PNG
((R)-(1-benzyl-4-(2,2-dimethoxyethyl)piperazin-2-yl...)
Show SMILES COC(CN1CCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
Show InChI InChI=1S/C16H26N2O3/c1-20-16(21-2)12-17-8-9-18(15(11-17)13-19)10-14-6-4-3-5-7-14/h3-7,15-16,19H,8-13H2,1-2H3/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


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


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267353
PNG
((-)-[(2R)-1-Benzyl-4-(2,2-dimethoxyethyl)-1,4-diaz...)
Show SMILES COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
Show InChI InChI=1S/C17H28N2O3/c1-21-17(22-2)13-18-9-6-10-19(16(12-18)14-20)11-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,6,9-14H2,1-2H3/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of radioligand from mu opioid receptor (unknown origin)


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267352
PNG
((-)-[(2R)-(1,4-Dibenzyl)-1,4-diazepan-2-yl]methano...)
Show SMILES OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(14-18-8-3-1-4-9-18)12-7-13-22(20)15-19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of radioligand from mu opioid receptor (unknown origin)


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50267352
PNG
((-)-[(2R)-(1,4-Dibenzyl)-1,4-diazepan-2-yl]methano...)
Show SMILES OC[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H26N2O/c23-17-20-16-21(14-18-8-3-1-4-9-18)12-7-13-22(20)15-19-10-5-2-6-11-19/h1-6,8-11,20,23H,7,12-17H2/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor (unknown origin)


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50267353
PNG
((-)-[(2R)-1-Benzyl-4-(2,2-dimethoxyethyl)-1,4-diaz...)
Show SMILES COC(CN1CCCN(Cc2ccccc2)[C@@H](CO)C1)OC |r|
Show InChI InChI=1S/C17H28N2O3/c1-21-17(22-2)13-18-9-6-10-19(16(12-18)14-20)11-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,6,9-14H2,1-2H3/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor (unknown origin)


Eur J Med Chem 44: 519-25 (2009)


Article DOI: 10.1016/j.ejmech.2008.03.033
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%