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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50032704   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333450
PNG
((R)-3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenox...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333433
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)az...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12ClF2NO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333448
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)py...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333434
PNG
(3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)az...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C16H15F2NO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333447
PNG
(3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)py...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
Show InChI InChI=1S/C17H17F2NO2/c1-11-4-2-5-13(18)16(11)22-15-7-3-6-14(19)17(15)21-12-8-9-20-10-12/h2-7,12,20H,8-10H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333442
PNG
(4-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)pi...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
Show InChI InChI=1S/C18H19F2NO2/c1-12-4-2-5-14(19)17(12)23-16-7-3-6-15(20)18(16)22-13-8-10-21-11-9-13/h2-7,13,21H,8-11H2,1H3
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333436
PNG
(3-(2-(2,6-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333445
PNG
(3-(2-fluoro-6-(2-fluorophenoxy)phenoxy)pyrrolidine...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CCNC1
Show InChI InChI=1S/C16H15F2NO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333441
PNG
(4-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)pi...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
Show InChI InChI=1S/C17H16ClF2NO2/c18-12-3-1-4-13(19)16(12)23-15-6-2-5-14(20)17(15)22-11-7-9-21-10-8-11/h1-6,11,21H,7-10H2
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333431
PNG
(3-(2-fluoro-6-(2-fluorophenoxy)phenoxy)azetidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C15H13F2NO2/c16-11-4-1-2-6-13(11)20-14-7-3-5-12(17)15(14)19-10-8-18-9-10/h1-7,10,18H,8-9H2
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333449
PNG
((S)-3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenox...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333432
PNG
(3-(2-(2-chlorophenoxy)-6-fluorophenoxy)azetidine |...)
Show SMILES Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H13ClFNO2/c16-11-4-1-2-6-13(11)20-14-7-3-5-12(17)15(14)19-10-8-18-9-10/h1-7,10,18H,8-9H2
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333438
PNG
(3-(2-(2,3-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-5-12(14(10)17)21-13-6-2-4-11(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333437
PNG
(3-(2-(2-chloro-6-methylphenoxy)-6-fluorophenoxy)az...)
Show SMILES Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C16H15ClFNO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3
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16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333446
PNG
(3-(2-(2-chlorophenoxy)-6-fluorophenoxy)pyrrolidine...)
Show SMILES Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
Show InChI InChI=1S/C16H15ClFNO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333430
PNG
(3-(2-(2-fluorophenoxy)phenoxy)azetidine | CHEMBL16...)
Show SMILES Fc1ccccc1Oc1ccccc1OC1CNC1
Show InChI InChI=1S/C15H14FNO2/c16-12-5-1-2-6-13(12)19-15-8-4-3-7-14(15)18-11-9-17-10-11/h1-8,11,17H,9-10H2
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333440
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenoxy)piperidine ...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
Show InChI InChI=1S/C17H17F2NO2/c18-13-4-1-2-6-15(13)22-16-7-3-5-14(19)17(16)21-12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333429
PNG
(3-(2-phenoxyphenoxy)azetidine | CHEMBL1645596)
Show SMILES C1NCC1Oc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C15H15NO2/c1-2-6-12(7-3-1)17-14-8-4-5-9-15(14)18-13-10-16-11-13/h1-9,13,16H,10-11H2
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57n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333452
PNG
(3-(azetidin-3-yloxy)-2-(2-chloro-6-fluorophenoxy)p...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
Show InChI InChI=1S/C14H12ClFN2O2/c15-10-3-1-4-11(16)13(10)20-14-12(5-2-6-18-14)19-9-7-17-8-9/h1-6,9,17H,7-8H2
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64n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333452
PNG
(3-(azetidin-3-yloxy)-2-(2-chloro-6-fluorophenoxy)p...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
Show InChI InChI=1S/C14H12ClFN2O2/c15-10-3-1-4-11(16)13(10)20-14-12(5-2-6-18-14)19-9-7-17-8-9/h1-6,9,17H,7-8H2
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73n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333443
PNG
(3-(2-fluoro-6-(2-fluorophenoxy)phenoxy)piperidine ...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1
Show InChI InChI=1S/C17H17F2NO2/c18-13-6-1-2-8-15(13)22-16-9-3-7-14(19)17(16)21-12-5-4-10-20-11-12/h1-3,6-9,12,20H,4-5,10-11H2
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90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333438
PNG
(3-(2-(2,3-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-5-12(14(10)17)21-13-6-2-4-11(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333450
PNG
((R)-3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenox...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m1/s1
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333434
PNG
(3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)az...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C16H15F2NO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3
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116n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333433
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)az...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12ClF2NO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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138n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333436
PNG
(3-(2-(2,6-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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164n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333446
PNG
(3-(2-(2-chlorophenoxy)-6-fluorophenoxy)pyrrolidine...)
Show SMILES Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
Show InChI InChI=1S/C16H15ClFNO2/c17-12-4-1-2-6-14(12)21-15-7-3-5-13(18)16(15)20-11-8-9-19-10-11/h1-7,11,19H,8-10H2
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192n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333444
PNG
(3-(2-(2-fluorophenoxy)phenoxy)pyrrolidine | CHEMBL...)
Show SMILES Fc1ccccc1Oc1ccccc1OC1CCNC1
Show InChI InChI=1S/C16H16FNO2/c17-13-5-1-2-6-14(13)20-16-8-4-3-7-15(16)19-12-9-10-18-11-12/h1-8,12,18H,9-11H2
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193n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309519
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2
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194n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333432
PNG
(3-(2-(2-chlorophenoxy)-6-fluorophenoxy)azetidine |...)
Show SMILES Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H13ClFNO2/c16-11-4-1-2-6-13(11)20-14-7-3-5-12(17)15(14)19-10-8-18-9-10/h1-7,10,18H,8-9H2
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198n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333451
PNG
(2-(2-chloro-6-fluorophenoxy)-3-(pyrrolidin-3-yloxy...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1
Show InChI InChI=1S/C15H14ClFN2O2/c16-11-3-1-4-12(17)14(11)21-15-13(5-2-7-19-15)20-10-6-8-18-9-10/h1-5,7,10,18H,6,8-9H2
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203n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333441
PNG
(4-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)pi...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
Show InChI InChI=1S/C17H16ClF2NO2/c18-12-3-1-4-13(19)16(12)23-15-6-2-5-14(20)17(15)22-11-7-9-21-10-8-11/h1-6,11,21H,7-10H2
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218n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333448
PNG
(3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy)py...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2
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226n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50309505
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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278n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50333438
PNG
(3-(2-(2,3-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-5-12(14(10)17)21-13-6-2-4-11(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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312n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35,428 from human DAT by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333442
PNG
(4-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)pi...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
Show InChI InChI=1S/C18H19F2NO2/c1-12-4-2-5-14(19)17(12)23-16-7-3-6-15(20)18(16)22-13-8-10-21-11-9-13/h2-7,13,21H,8-11H2,1H3
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323n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333447
PNG
(3-(2-fluoro-6-(2-fluoro-6-methylphenoxy)phenoxy)py...)
Show SMILES Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
Show InChI InChI=1S/C17H17F2NO2/c1-11-4-2-5-13(18)16(11)22-15-7-3-6-14(19)17(15)21-12-8-9-20-10-12/h2-7,12,20H,8-10H2,1H3
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328n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333438
PNG
(3-(2-(2,3-dichlorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Show InChI InChI=1S/C15H12Cl2FNO2/c16-10-3-1-5-12(14(10)17)21-13-6-2-4-11(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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374n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333437
PNG
(3-(2-(2-chloro-6-methylphenoxy)-6-fluorophenoxy)az...)
Show SMILES Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C16H15ClFNO2/c1-10-4-2-5-12(17)15(10)21-14-7-3-6-13(18)16(14)20-11-8-19-9-11/h2-7,11,19H,8-9H2,1H3
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433n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333435
PNG
(3-(2-(2,6-difluorophenoxy)-6-fluorophenoxy)azetidi...)
Show SMILES Fc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C15H12F3NO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
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482n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333440
PNG
(4-(2-fluoro-6-(2-fluorophenoxy)phenoxy)piperidine ...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
Show InChI InChI=1S/C17H17F2NO2/c18-13-4-1-2-6-15(13)22-16-7-3-5-14(19)17(16)21-12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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489n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333431
PNG
(3-(2-fluoro-6-(2-fluorophenoxy)phenoxy)azetidine |...)
Show SMILES Fc1ccccc1Oc1cccc(F)c1OC1CNC1
Show InChI InChI=1S/C15H13F2NO2/c16-11-4-1-2-6-13(11)20-14-7-3-5-12(17)15(14)19-10-8-18-9-10/h1-7,10,18H,8-9H2
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507n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333430
PNG
(3-(2-(2-fluorophenoxy)phenoxy)azetidine | CHEMBL16...)
Show SMILES Fc1ccccc1Oc1ccccc1OC1CNC1
Show InChI InChI=1S/C15H14FNO2/c16-12-5-1-2-6-13(12)19-15-8-4-3-7-14(15)18-11-9-17-10-11/h1-8,11,17H,9-10H2
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528n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50333439
PNG
(4-(2-(2-fluorophenoxy)phenoxy)piperidine | CHEMBL1...)
Show SMILES Fc1ccccc1Oc1ccccc1OC1CCNCC1
Show InChI InChI=1S/C17H18FNO2/c18-14-5-1-2-6-15(14)21-17-8-4-3-7-16(17)20-13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
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693n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333439
PNG
(4-(2-(2-fluorophenoxy)phenoxy)piperidine | CHEMBL1...)
Show SMILES Fc1ccccc1Oc1ccccc1OC1CCNCC1
Show InChI InChI=1S/C17H18FNO2/c18-14-5-1-2-6-15(14)21-17-8-4-3-7-16(17)20-13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333449
PNG
((S)-3-(2-(2-chloro-6-fluorophenoxy)-6-fluorophenox...)
Show SMILES Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H14ClF2NO2/c17-11-3-1-4-12(18)15(11)22-14-6-2-5-13(19)16(14)21-10-7-8-20-9-10/h1-6,10,20H,7-9H2/t10-/m0/s1
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1.01E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET by scintillation proximity assay


Bioorg Med Chem Lett 21: 865-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.066
BindingDB Entry DOI: 10.7270/Q2HT2PK6
More data for this
Ligand-Target Pair
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