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PubMed code 20045339

Compile data set for download or QSAR
Found 16 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


(RAT)
BDBM50310078
PNG
((R/S)-1-(3-(6-Methoxynaphthalen-2-yl)butyl)piperid...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3
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1.29n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310077
PNG
((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3
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2.31n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310074
PNG
((R/S)-4-(benzyl(methyl)amino)-2-(biphenyl-4-yl)but...)
Show SMILES CN(CCC(C)(O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO/c1-24(26,17-18-25(2)19-20-9-5-3-6-10-20)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,26H,17-19H2,1-2H3
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2.38n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198062
PNG
((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3
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3.59n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198065
PNG
(4(E)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbut-2-en-1...)
Show SMILES CN(C\C=C(/C)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-17H,18-19H2,1-2H3/b20-17+
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4.17n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310076
PNG
((E)-1-(3-(6-Methoxynaphthalen-2-yl)but-2-enyl)pipe...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN1CCCCC1
Show InChI InChI=1S/C20H25NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3/b16-10+
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4.41n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310072
PNG
((R/S)-4-(Benzyl(methyl)amino)-2-(6-methoxynaphthal...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(25,13-14-24(2)17-18-7-5-4-6-8-18)21-11-9-20-16-22(26-3)12-10-19(20)15-21/h4-12,15-16,25H,13-14,17H2,1-3H3
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6.04n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310073
PNG
((R/S)-2-(6-Methoxynaphthalen-2-yl)-4-(piperidin-1-...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN1CCCCC1
Show InChI InChI=1S/C20H27NO2/c1-20(22,10-13-21-11-4-3-5-12-21)18-8-6-17-15-19(23-2)9-7-16(17)14-18/h6-9,14-15,22H,3-5,10-13H2,1-2H3
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10.4n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310075
PNG
((E)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-methyl...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN(C)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-13,15-16H,14,17H2,1-3H3/b18-13+
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13.7n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198055
PNG
((R/S)-3-(6-Methoxynaphthalen-2-yl)-N,N-dimethylbut...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)C
Show InChI InChI=1S/C17H23NO/c1-13(9-10-18(2)3)14-5-6-16-12-17(19-4)8-7-15(16)11-14/h5-8,11-13H,9-10H2,1-4H3
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14.4n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50198066
PNG
((E)-3-(6-Methoxynaphthalen-2-yl)-N,N-dimethylbut-2...)
Show SMILES COc1ccc2cc(ccc2c1)C(\C)=C\CN(C)C
Show InChI InChI=1S/C17H21NO/c1-13(9-10-18(2)3)14-5-6-16-12-17(19-4)8-7-15(16)11-14/h5-9,11-12H,10H2,1-4H3/b13-9+
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27.3n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50310071
PNG
((R/S)-4-(Dimethylamino)-2-(6-methoxynaphthalen-2-y...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)C
Show InChI InChI=1S/C17H23NO2/c1-17(19,9-10-18(2)3)15-7-5-14-12-16(20-4)8-6-13(14)11-15/h5-8,11-12,19H,9-10H2,1-4H3
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38.8n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50310072
PNG
((R/S)-4-(Benzyl(methyl)amino)-2-(6-methoxynaphthal...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)(O)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-23(25,13-14-24(2)17-18-7-5-4-6-8-18)21-11-9-20-16-22(26-3)12-10-19(20)15-21/h4-12,15-16,25H,13-14,17H2,1-3H3
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41n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50310077
PNG
((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3
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171n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50198062
PNG
((R/S)-N-Benzyl-3-(biphenyl-4-yl)-N-methylbutan-1-a...)
Show SMILES CC(CCN(C)Cc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(17-18-25(2)19-21-9-5-3-6-10-21)22-13-15-24(16-14-22)23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3
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248n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50310077
PNG
((R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-meth...)
Show SMILES COc1ccc2cc(ccc2c1)C(C)CCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H27NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-12,15-16,18H,13-14,17H2,1-3H3
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841n/an/an/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa-type opioid receptor in guinea pig brain homogenate


Bioorg Med Chem 18: 1204-12 (2010)


Article DOI: 10.1016/j.bmc.2009.12.039
BindingDB Entry DOI: 10.7270/Q2PN95S5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%