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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50322515   
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))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 411n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 1.57E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx a...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
PDB
MMDB

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n/an/a 9.00E+3n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta2 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair