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PubMed code 16257206

Compile data set for download or QSAR
Found 18 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176258
PNG
(3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176258
PNG
(3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50176258
PNG
(3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of 5HT


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of reuptake of Norepinephrine


Bioorg Med Chem Lett 16: 691-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.024
BindingDB Entry DOI: 10.7270/Q2MG7Q9D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%