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Compile Data Set for Download or QSAR

Found 443 hits with Last Name = 'campbell' and Initial = 'bm'   
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 (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
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
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50426340
PNG
(CHEMBL2321943)
Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r|
Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1
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MMDB

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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
BindingDB Entry DOI: 10.7270/Q2KH0PNV
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 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))
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))
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 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))
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
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
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))
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))
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))
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))
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))
BDBM50277145
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5/c1-23(2,3)27-22-24-12-10-20(26-22)18-7-6-13-28(16-18)14-11-17-15-25-21-9-5-4-8-19(17)21/h4-5,8-10,12,15,18,25H,6-7,11,13-14,16H2,1-3H3,(H,24,26,27)
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5.20n/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 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50426341
PNG
(CHEMBL2321944)
Show SMILES N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O |r|
Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
BindingDB Entry DOI: 10.7270/Q2KH0PNV
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))
BDBM50277131
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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7.40n/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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386310
PNG
(CHEMBL2049092)
Show SMILES COc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r|
Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
BindingDB Entry DOI: 10.7270/Q2KH0PNV
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))
BDBM50277180
PNG
(4-(1-(2-(5-chloro-1H-indol-3-yl)ethyl)piperidin-3-...)
Show SMILES Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26ClN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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10.4n/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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
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
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
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))
BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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11.2n/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


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
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))
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
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