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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50175151   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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5.01n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Ability of compound to inhibit dopamine uptake of receptor was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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6.22n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-from DAT in rat brain membrane


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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27.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.


J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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1.42E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat brain


J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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1.49E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.


J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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3.28E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.


J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair