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PubMed code 16750363

Compile data set for download or QSAR
Found 101 hits of Enzyme Inhibition Constant Data   
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))
BDBM50188099
PNG
(1-(2-(2,3-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1Cl
Show InChI InChI=1S/C18H20Cl2N2/c19-16-8-4-7-15(18(16)20)13-17(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,17,21H,9-13H2
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
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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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188117
PNG
(1-(2-(2,5-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(Cl)c(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-6-7-17(20)15(12-16)13-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,12,18,21H,8-11,13H2
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188109
PNG
(1-(2-(2-ethoxyphenyl)-1-phenylethyl)-1,4-diazepane...)
Show SMILES CCOc1ccccc1CC(N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-2-24-21-12-7-6-11-19(21)17-20(18-9-4-3-5-10-18)23-15-8-13-22-14-16-23/h3-7,9-12,20,22H,2,8,13-17H2,1H3
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n/an/a 8.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188107
PNG
((S)-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-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188123
PNG
(1-(2-(2-ethoxyphenyl)-1-(2-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1ccccc1F
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-10-6-3-7-16(20)15-19(23-13-11-22-12-14-23)17-8-4-5-9-18(17)21/h3-10,19,22H,2,11-15H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188104
PNG
(1-(2-(2,4-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(CC(N2CCNCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-6-15(17(20)13-16)12-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,13,18,21H,8-12H2
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188118
PNG
(1-(2-(2-chlorophenyl)-1-(thiazol-5-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1cncs1
Show InChI InChI=1S/C15H18ClN3S/c16-13-4-2-1-3-12(13)9-14(15-10-18-11-20-15)19-7-5-17-6-8-19/h1-4,10-11,14,17H,5-9H2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188116
PNG
(1-(2-(naphthalen-1-yl)-1-phenylethyl)piperazine | ...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2/c1-2-8-19(9-3-1)22(24-15-13-23-14-16-24)17-20-11-6-10-18-7-4-5-12-21(18)20/h1-12,22-23H,13-17H2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188045
PNG
(1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine | C...)
Show SMILES CCOc1ccccc1CC(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
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
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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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188113
PNG
(1-(2-(2-chlorophenyl)-1-(4-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-4-2-1-3-15(17)13-18(22-11-9-21-10-12-22)14-5-7-16(20)8-6-14/h1-8,18,21H,9-13H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188115
PNG
(1-(2-(2-chlorophenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C17H20ClN3/c18-16-6-2-1-4-14(16)12-17(15-5-3-7-20-13-15)21-10-8-19-9-11-21/h1-7,13,17,19H,8-12H2
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188121
PNG
(1-(2-(2-ethoxyphenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C19H25N3O/c1-2-23-19-8-4-3-6-16(19)14-18(17-7-5-9-21-15-17)22-12-10-20-11-13-22/h3-9,15,18,20H,2,10-14H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188110
PNG
(1-(2-(2-chlorophenyl)-1-(3-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-7-2-1-4-14(17)13-18(22-10-8-21-9-11-22)15-5-3-6-16(20)12-15/h1-7,12,18,21H,8-11,13H2
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
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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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188045
PNG
(1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine | C...)
Show SMILES CCOc1ccccc1CC(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
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188112
PNG
(1-(2-(naphthalen-2-yl)-1-phenylethyl)piperazine | ...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N2/c1-2-7-20(8-3-1)22(24-14-12-23-13-15-24)17-18-10-11-19-6-4-5-9-21(19)16-18/h1-11,16,22-23H,12-15,17H2
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188102
PNG
(1-(2-(2-ethoxyphenyl)-1-(4-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-6-4-3-5-17(20)15-19(23-13-11-22-12-14-23)16-7-9-18(21)10-8-16/h3-10,19,22H,2,11-15H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
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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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188107
PNG
((S)-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-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188105
PNG
(1-(2-(2-ethoxyphenyl)-1-(thiazol-5-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cncs1
Show InChI InChI=1S/C17H23N3OS/c1-2-21-16-6-4-3-5-14(16)11-15(17-12-19-13-22-17)20-9-7-18-8-10-20/h3-6,12-13,15,18H,2,7-11H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188124
PNG
(1-(2-(2-ethoxyphenyl)-1-(3-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-9-4-3-6-17(20)15-19(23-12-10-22-11-13-23)16-7-5-8-18(21)14-16/h3-9,14,19,22H,2,10-13,15H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188122
PNG
(1-(1,3-diphenylpropyl)piperazine | CHEMBL209707)
Show SMILES C(Cc1ccccc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)21-15-13-20-14-16-21/h1-10,19-20H,11-16H2
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188103
PNG
(1-(1,4-diphenylbutan-2-yl)piperazine | CHEMBL38468...)
Show SMILES C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C20H26N2/c1-3-7-18(8-4-1)11-12-20(22-15-13-21-14-16-22)17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188110
PNG
(1-(2-(2-chlorophenyl)-1-(3-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-7-2-1-4-14(17)13-18(22-10-8-21-9-11-22)15-5-3-6-16(20)12-15/h1-7,12,18,21H,8-11,13H2
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188102
PNG
(1-(2-(2-ethoxyphenyl)-1-(4-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-6-4-3-5-17(20)15-19(23-13-11-22-12-14-23)16-7-9-18(21)10-8-16/h3-10,19,22H,2,11-15H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188124
PNG
(1-(2-(2-ethoxyphenyl)-1-(3-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-9-4-3-6-17(20)15-19(23-12-10-22-11-13-23)16-7-5-8-18(21)14-16/h3-9,14,19,22H,2,10-13,15H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188106
PNG
(1-(2-(2-chlorophenyl)-1-(2-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1ccccc1C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-16-7-3-1-5-14(16)13-18(22-11-9-21-10-12-22)15-6-2-4-8-17(15)20/h1-8,18,21H,9-13H2
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188120
PNG
(1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine | CHE...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C17H21N3/c1-2-4-16(5-3-1)17(20-12-10-19-11-13-20)14-15-6-8-18-9-7-15/h1-9,17,19H,10-14H2
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188123
PNG
(1-(2-(2-ethoxyphenyl)-1-(2-fluorophenyl)ethyl)pipe...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1ccccc1F
Show InChI InChI=1S/C20H25FN2O/c1-2-24-20-10-6-3-7-16(20)15-19(23-13-11-22-12-14-23)17-8-4-5-9-18(17)21/h3-10,19,22H,2,11-15H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188119
PNG
(1-(2-(2-ethoxyphenyl)-1-(thiazol-2-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1nccs1
Show InChI InChI=1S/C17H23N3OS/c1-2-21-16-6-4-3-5-14(16)13-15(17-19-9-12-22-17)20-10-7-18-8-11-20/h3-6,9,12,15,18H,2,7-8,10-11,13H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188105
PNG
(1-(2-(2-ethoxyphenyl)-1-(thiazol-5-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cncs1
Show InChI InChI=1S/C17H23N3OS/c1-2-21-16-6-4-3-5-14(16)11-15(17-12-19-13-22-17)20-9-7-18-8-10-20/h3-6,12-13,15,18H,2,7-11H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188100
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)-1,4-diazepane...)
Show SMILES Clc1ccccc1CC(N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23ClN2/c20-18-10-5-4-9-17(18)15-19(16-7-2-1-3-8-16)22-13-6-11-21-12-14-22/h1-5,7-10,19,21H,6,11-15H2
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188108
PNG
(1-(2-(2-chlorophenyl)-1-(thiazol-2-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1nccs1
Show InChI InChI=1S/C15H18ClN3S/c16-13-4-2-1-3-12(13)11-14(15-18-7-10-20-15)19-8-5-17-6-9-19/h1-4,7,10,14,17H,5-6,8-9,11H2
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n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188121
PNG
(1-(2-(2-ethoxyphenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C19H25N3O/c1-2-23-19-8-4-3-6-16(19)14-18(17-7-5-9-21-15-17)22-12-10-20-11-13-22/h3-9,15,18,20H,2,10-14H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188103
PNG
(1-(1,4-diphenylbutan-2-yl)piperazine | CHEMBL38468...)
Show SMILES C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C20H26N2/c1-3-7-18(8-4-1)11-12-20(22-15-13-21-14-16-22)17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188115
PNG
(1-(2-(2-chlorophenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C17H20ClN3/c18-16-6-2-1-4-14(16)12-17(15-5-3-7-20-13-15)21-10-8-19-9-11-21/h1-7,13,17,19H,8-12H2
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n/an/a 75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188100
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)-1,4-diazepane...)
Show SMILES Clc1ccccc1CC(N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23ClN2/c20-18-10-5-4-9-17(18)15-19(16-7-2-1-3-8-16)22-13-6-11-21-12-14-22/h1-5,7-10,19,21H,6,11-15H2
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n/an/a 76n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188108
PNG
(1-(2-(2-chlorophenyl)-1-(thiazol-2-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1nccs1
Show InChI InChI=1S/C15H18ClN3S/c16-13-4-2-1-3-12(13)11-14(15-18-7-10-20-15)19-8-5-17-6-9-19/h1-4,7,10,14,17H,5-6,8-9,11H2
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n/an/a 79n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188113
PNG
(1-(2-(2-chlorophenyl)-1-(4-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-4-2-1-3-15(17)13-18(22-11-9-21-10-12-22)14-5-7-16(20)8-6-14/h1-8,18,21H,9-13H2
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n/an/a 94n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188099
PNG
(1-(2-(2,3-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1Cl
Show InChI InChI=1S/C18H20Cl2N2/c19-16-8-4-7-15(18(16)20)13-17(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,17,21H,9-13H2
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188117
PNG
(1-(2-(2,5-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(Cl)c(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-6-7-17(20)15(12-16)13-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,12,18,21H,8-11,13H2
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188118
PNG
(1-(2-(2-chlorophenyl)-1-(thiazol-5-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1cncs1
Show InChI InChI=1S/C15H18ClN3S/c16-13-4-2-1-3-12(13)9-14(15-10-18-11-20-15)19-7-5-17-6-8-19/h1-4,10-11,14,17H,5-9H2
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188106
PNG
(1-(2-(2-chlorophenyl)-1-(2-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1ccccc1C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-16-7-3-1-5-14(16)13-18(22-11-9-21-10-12-22)15-6-2-4-8-17(15)20/h1-8,18,21H,9-13H2
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n/an/a 130n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188111
PNG
(1-(1-phenyl-2-(pyridin-2-yl)ethyl)piperazine | CHE...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C17H21N3/c1-2-6-15(7-3-1)17(20-12-10-18-11-13-20)14-16-8-4-5-9-19-16/h1-9,17-18H,10-14H2
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n/an/a 230n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188109
PNG
(1-(2-(2-ethoxyphenyl)-1-phenylethyl)-1,4-diazepane...)
Show SMILES CCOc1ccccc1CC(N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C21H28N2O/c1-2-24-21-12-7-6-11-19(21)17-20(18-9-4-3-5-10-18)23-15-8-13-22-14-16-23/h3-7,9-12,20,22H,2,8,13-17H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188119
PNG
(1-(2-(2-ethoxyphenyl)-1-(thiazol-2-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1nccs1
Show InChI InChI=1S/C17H23N3OS/c1-2-21-16-6-4-3-5-14(16)13-15(17-19-9-12-22-17)20-10-7-18-8-11-20/h3-6,9,12,15,18H,2,7-8,10-11,13H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188103
PNG
(1-(1,4-diphenylbutan-2-yl)piperazine | CHEMBL38468...)
Show SMILES C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C20H26N2/c1-3-7-18(8-4-1)11-12-20(22-15-13-21-14-16-22)17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
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n/an/a 400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188104
PNG
(1-(2-(2,4-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(CC(N2CCNCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-6-15(17(20)13-16)12-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,13,18,21H,8-12H2
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n/an/a>400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188122
PNG
(1-(1,3-diphenylpropyl)piperazine | CHEMBL209707)
Show SMILES C(Cc1ccccc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-12-19(18-9-5-2-6-10-18)21-15-13-20-14-16-21/h1-10,19-20H,11-16H2
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n/an/a>400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188111
PNG
(1-(1-phenyl-2-(pyridin-2-yl)ethyl)piperazine | CHE...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C17H21N3/c1-2-6-15(7-3-1)17(20-12-10-18-11-13-20)14-16-8-4-5-9-19-16/h1-9,17-18H,10-14H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188120
PNG
(1-(1-phenyl-2-(pyridin-4-yl)ethyl)piperazine | CHE...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C17H21N3/c1-2-4-16(5-3-1)17(20-12-10-19-11-13-20)14-15-6-8-18-9-7-15/h1-9,17,19H,10-14H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188116
PNG
(1-(2-(naphthalen-1-yl)-1-phenylethyl)piperazine | ...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2/c1-2-8-19(9-3-1)22(24-15-13-23-14-16-24)17-20-11-6-10-18-7-4-5-12-21(18)20/h1-12,22-23H,13-17H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188112
PNG
(1-(2-(naphthalen-2-yl)-1-phenylethyl)piperazine | ...)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N2/c1-2-7-20(8-3-1)22(24-14-12-23-13-15-24)17-18-10-11-19-6-4-5-9-21(19)16-18/h1-11,16,22-23H,12-15,17H2
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n/an/a>400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 500n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine 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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n/an/a 870n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188114
PNG
(1-(2-(2,6-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1cccc(Cl)c1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-4-8-17(20)15(16)13-18(14-5-2-1-3-6-14)22-11-9-21-10-12-22/h1-8,18,21H,9-13H2
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n/an/a 970n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188113
PNG
(1-(2-(2-chlorophenyl)-1-(4-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-4-2-1-3-15(17)13-18(22-11-9-21-10-12-22)14-5-7-16(20)8-6-14/h1-8,18,21H,9-13H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188110
PNG
(1-(2-(2-chlorophenyl)-1-(3-fluorophenyl)ethyl)pipe...)
Show SMILES Fc1cccc(c1)C(Cc1ccccc1Cl)N1CCNCC1
Show InChI InChI=1S/C18H20ClFN2/c19-17-7-2-1-4-14(17)13-18(22-10-8-21-9-11-22)15-5-3-6-16(20)12-15/h1-7,12,18,21H,8-11,13H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188045
PNG
(1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine | C...)
Show SMILES CCOc1ccccc1CC(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
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188117
PNG
(1-(2-(2,5-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(Cl)c(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-6-7-17(20)15(12-16)13-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,12,18,21H,8-11,13H2
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188107
PNG
((S)-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-/m0/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188121
PNG
(1-(2-(2-ethoxyphenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES CCOc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C19H25N3O/c1-2-23-19-8-4-3-6-16(19)14-18(17-7-5-9-21-15-17)22-12-10-20-11-13-22/h3-9,15,18,20H,2,10-14H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188104
PNG
(1-(2-(2,4-dichlorophenyl)-1-phenylethyl)piperazine...)
Show SMILES Clc1ccc(CC(N2CCNCC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2/c19-16-7-6-15(17(20)13-16)12-18(14-4-2-1-3-5-14)22-10-8-21-9-11-22/h1-7,13,18,21H,8-12H2
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine 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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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188115
PNG
(1-(2-(2-chlorophenyl)-1-(pyridin-3-yl)ethyl)pipera...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1cccnc1
Show InChI InChI=1S/C17H20ClN3/c18-16-6-2-1-4-14(16)12-17(15-5-3-7-20-13-15)21-10-8-19-9-11-21/h1-7,13,17,19H,8-12H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50188107
PNG
((S)-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-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50188107
PNG
((S)-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-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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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n/an/a 1.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to hERG


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50188049
PNG
(1-(2-(2-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21ClN2/c19-17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)21-12-10-20-11-13-21/h1-9,18,20H,10-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(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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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 16: 4349-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.049
BindingDB Entry DOI: 10.7270/Q2SQ916H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%