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Compile Data Set for Download or QSAR

Found 390 hits with Last Name = 'probert' and Initial = 'a'   
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))
BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309512
PNG
(2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)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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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299801
PNG
(4-(2-(3-fluorophenoxy)-4-methylphenyl)piperidine |...)
Show SMILES Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H20FNO/c1-13-5-6-17(14-7-9-20-10-8-14)18(11-13)21-16-4-2-3-15(19)12-16/h2-6,11-12,14,20H,7-10H2,1H3
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299800
PNG
(4-(2-(3,4-dichlorobenzyloxy)-5-fluorophenyl)piperi...)
Show SMILES Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Show InChI InChI=1S/C18H18Cl2FNO/c19-16-3-1-12(9-17(16)20)11-23-18-4-2-14(21)10-15(18)13-5-7-22-8-6-13/h1-4,9-10,13,22H,5-8,11H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299789
PNG
(4-(5-fluoro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(20)11-17(18)14-7-9-21-10-8-14/h1-6,11,14,21H,7-10,12H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299789
PNG
(4-(5-fluoro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(20)11-17(18)14-7-9-21-10-8-14/h1-6,11,14,21H,7-10,12H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50309515
PNG
(2-(2,4-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299796
PNG
(4-(2-(2-fluoro-5-methylphenoxy)phenyl)piperidine |...)
Show SMILES Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C18H20FNO/c1-13-6-7-16(19)18(12-13)21-17-5-3-2-4-15(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50309523
PNG
(1-(2-(2-chloro-6-fluorophenoxy)pyridin-3-yl)pipera...)
Show SMILES Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
Show InChI InChI=1S/C15H15ClFN3O/c16-11-3-1-4-12(17)14(11)21-15-13(5-2-6-19-15)20-9-7-18-8-10-20/h1-6,18H,7-10H2
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3.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50299787
PNG
(4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50309522
PNG
(1-(2-(2-chlorophenoxy)pyridin-3-yl)piperazine | CH...)
Show SMILES Clc1ccccc1Oc1ncccc1N1CCNCC1
Show InChI InChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2
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4.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299802
PNG
(4-(3,4-dichlorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-6-5-16(14-18(17)23)26-11-12-28-20(21(26)27)13-15-3-1-2-4-19(15)25-9-7-24-8-10-25/h1-6,14,20,24H,7-13H2
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50309514
PNG
(2-(2-fluoro-4-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-5-16(15(18)11-12)21-17-14(3-2-8-20-17)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50299804
PNG
(4-(2-fluoro-6-(4-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-6-14(7-5-13)21-16-3-1-2-15(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299803
PNG
(4-(5-chloro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19ClFNO/c19-15-3-6-18(17(11-15)14-7-9-21-10-8-14)22-12-13-1-4-16(20)5-2-13/h1-6,11,14,21H,7-10,12H2
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50309520
PNG
(2-(2,6-difluorophenoxy)-3-(piperidin-4-yl)pyridine...)
Show SMILES Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H16F2N2O/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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7.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50299793
PNG
(1-(2-(4-fluorophenoxy)phenyl)piperazine | CHEMBL57...)
Show SMILES Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C16H17FN2O/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19/h1-8,18H,9-12H2
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50299802
PNG
(4-(3,4-dichlorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-6-5-16(14-18(17)23)26-11-12-28-20(21(26)27)13-15-3-1-2-4-19(15)25-9-7-24-8-10-25/h1-6,14,20,24H,7-13H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299795
PNG
(4-(2-(benzyloxy)-6-fluorophenyl)piperidine | CHEMB...)
Show SMILES Fc1cccc(OCc2ccccc2)c1C1CCNCC1
Show InChI InChI=1S/C18H20FNO/c19-16-7-4-8-17(18(16)15-9-11-20-12-10-15)21-13-14-5-2-1-3-6-14/h1-8,15,20H,9-13H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299786
PNG
(4-(2-(benzyloxy)-3-fluorophenyl)piperidine | CHEMB...)
Show SMILES Fc1cccc(C2CCNCC2)c1OCc1ccccc1
Show InChI InChI=1S/C18H20FNO/c19-17-8-4-7-16(15-9-11-20-12-10-15)18(17)21-13-14-5-2-1-3-6-14/h1-8,15,20H,9-13H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50299805
PNG
(1-(2-(3-fluorophenoxy)phenyl)piperazine | CHEMBL57...)
Show SMILES Fc1cccc(Oc2ccccc2N2CCNCC2)c1
Show InChI InChI=1S/C16H17FN2O/c17-13-4-3-5-14(12-13)20-16-7-2-1-6-15(16)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50309521
PNG
(2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50309507
PNG
(2-(2-fluorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Fc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50299806
PNG
(4-(2-(4-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H18FNO/c18-14-5-7-15(8-6-14)20-17-4-2-1-3-16(17)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50309508
PNG
(2-(2-chlorophenoxy)-3-(piperidin-4-yl)pyridine | C...)
Show SMILES Clc1ccccc1Oc1ncccc1C1CCNCC1
Show InChI InChI=1S/C16H17ClN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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 (5-HT1A)


(Homo sapiens (Human))
BDBM50309517
PNG
(2-(2-chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyr...)
Show SMILES Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
Show InChI InChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques


Bioorg Med Chem Lett 20: 1114-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.023
BindingDB Entry DOI: 10.7270/Q2NS0V17
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50299807
PNG
(1-(2-((3-fluorophenoxy)methyl)phenyl)piperazine | ...)
Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1
Show InChI InChI=1S/C17H19FN2O/c18-15-5-3-6-16(12-15)21-13-14-4-1-2-7-17(14)20-10-8-19-9-11-20/h1-7,12,19H,8-11,13H2
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
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