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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'bish' and Initial = 'g'   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50188048
PNG
((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319819
PNG
(1-(2-(3-fluoro-2-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1c(F)cccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-16(8-5-9-17(19)20)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
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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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188048
PNG
((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
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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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319833
PNG
(1-(2-(2,3-dihydrobenzofuran-7-yl)-1-phenylethyl)pi...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1cccc2CCOc12
Show InChI InChI=1S/C20H24N2O/c1-2-5-16(6-3-1)19(22-12-10-21-11-13-22)15-18-8-4-7-17-9-14-23-20(17)18/h1-8,19,21H,9-15H2
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319831
PNG
((R)-2-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol | C...)
Show SMILES Oc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1 |r|
Show InChI InChI=1S/C18H22N2O/c21-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)20-12-10-19-11-13-20/h1-9,17,19,21H,10-14H2/t17-/m1/s1
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319824
PNG
(1-(1-(4-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-5-3-2-4-16(19)14-18(22-12-10-21-11-13-22)15-6-8-17(20)9-7-15/h2-9,18,21H,10-14H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188098
PNG
((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319822
PNG
(1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1F
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319826
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(3-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H21F3N2O/c20-16-6-3-5-14(12-16)17(24-10-8-23-9-11-24)13-15-4-1-2-7-18(15)25-19(21)22/h1-7,12,17,19,23H,8-11,13H2
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12n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188098
PNG
((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188048
PNG
((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
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15n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188048
PNG
((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
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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]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319825
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(2-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1F
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-3-2-6-15(16)17(24-11-9-23-10-12-24)13-14-5-1-4-8-18(14)25-19(21)22/h1-8,17,19,23H,9-13H2
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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 [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
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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 [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188055
PNG
(1-(1-phenyl-2-(2-propoxyphenyl)ethyl)piperazine | ...)
Show SMILES CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-2-16-24-21-11-7-6-10-19(21)17-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,20,22H,2,12-17H2,1H3
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18n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
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18n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188048
PNG
((+)-1-(2-(2-methoxyphenyl)-1-phenylethyl)piperazin...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-17(19)15-18(16-7-3-2-4-8-16)21-13-11-20-12-14-21/h2-10,18,20H,11-15H2,1H3
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319835
PNG
(1-(2-(2-cyclopropoxyphenyl)-1-phenylethyl)piperazi...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)20(23-14-12-22-13-15-23)16-18-8-4-5-9-21(18)24-19-10-11-19/h1-9,19-20,22H,10-16H2
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19n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319821
PNG
(1-(2-(2-(difluoromethoxy)-6-fluorophenyl)-1-phenyl...)
Show SMILES FC(F)Oc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-4-8-18(25-19(21)22)15(16)13-17(14-5-2-1-3-6-14)24-11-9-23-10-12-24/h1-8,17,19,23H,9-13H2
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19n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319832
PNG
(1-(2-(2-(cyclopropylmethoxy)phenyl)-1-phenylethyl)...)
Show SMILES C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
Show InChI InChI=1S/C22H28N2O/c1-2-6-19(7-3-1)21(24-14-12-23-13-15-24)16-20-8-4-5-9-22(20)25-17-18-10-11-18/h1-9,18,21,23H,10-17H2
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19n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
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21n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319835
PNG
(1-(2-(2-cyclopropoxyphenyl)-1-phenylethyl)piperazi...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)20(23-14-12-22-13-15-23)16-18-8-4-5-9-21(18)24-19-10-11-19/h1-9,19-20,22H,10-16H2
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319834
PNG
(1-(2-(2-isopropoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CC(C)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-17(2)24-21-11-7-6-10-19(21)16-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,17,20,22H,12-16H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
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24n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
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24n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319832
PNG
(1-(2-(2-(cyclopropylmethoxy)phenyl)-1-phenylethyl)...)
Show SMILES C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
Show InChI InChI=1S/C22H28N2O/c1-2-6-19(7-3-1)21(24-14-12-23-13-15-24)16-20-8-4-5-9-22(20)25-17-18-10-11-18/h1-9,18,21,23H,10-17H2
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188062
PNG
(1-(1-phenyl-2-(2-(trifluoromethoxy)phenyl)ethyl)pi...)
Show SMILES FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,17,23H,10-14H2
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25n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319826
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(3-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H21F3N2O/c20-16-6-3-5-14(12-16)17(24-10-8-23-9-11-24)13-15-4-1-2-7-18(15)25-19(21)22/h1-7,12,17,19,23H,8-11,13H2
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26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
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27n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319820
PNG
(1-(2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl)pipe...)
Show SMILES COc1cccc(F)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319823
PNG
(1-(1-(3-fluorophenyl)-2-(2-methoxyphenyl)ethyl)pip...)
Show SMILES COc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-8-3-2-5-16(19)14-18(22-11-9-21-10-12-22)15-6-4-7-17(20)13-15/h2-8,13,18,21H,9-12,14H2,1H3
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319829
PNG
(1-(1-(3-fluorophenyl)-2-(2-(trifluoromethoxy)pheny...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-6-3-5-14(12-16)17(25-10-8-24-9-11-25)13-15-4-1-2-7-18(15)26-19(21,22)23/h1-7,12,17,24H,8-11,13H2
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188055
PNG
(1-(1-phenyl-2-(2-propoxyphenyl)ethyl)piperazine | ...)
Show SMILES CCCOc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-2-16-24-21-11-7-6-10-19(21)17-20(18-8-4-3-5-9-18)23-14-12-22-13-15-23/h3-11,20,22H,2,12-17H2,1H3
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319828
PNG
((+)-1-(1-(2-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
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34n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
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36n/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: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319827
PNG
(1-(2-(2-(difluoromethoxy)phenyl)-1-(4-fluorophenyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21F3N2O/c20-16-7-5-14(6-8-16)17(24-11-9-23-10-12-24)13-15-3-1-2-4-18(15)25-19(21)22/h1-8,17,19,23H,9-13H2
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
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