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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50022784   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Bioorg Med Chem Lett 18: 6151-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


Bioorg Med Chem Lett 18: 6151-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 18: 6151-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Bioorg Med Chem Lett 18: 6151-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK cells


Bioorg Med Chem Lett 18: 4495-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor like 1 expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 4083-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.018
BindingDB Entry DOI: 10.7270/Q21N80K4
More data for this
Ligand-Target Pair