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PubMed code 16750359

Compile data set for download or QSAR
Found 58 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))
BDBM50188063
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile |...)
Show SMILES N#Cc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H21N3/c20-15-17-6-4-5-16(13-17)14-19(18-7-2-1-3-8-18)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14H2
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188043
PNG
(1-(2-(3-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)21-11-9-20-10-12-21/h1-8,13,18,20H,9-12,14H2
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188056
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol | CHEMB...)
Show SMILES Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H22N2O/c21-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)20-11-9-19-10-12-20/h1-8,13,18-19,21H,9-12,14H2
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n/an/a 9.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188051
PNG
(1-(1-phenyl-2-o-tolylethyl)piperazine | CHEMBL2100...)
Show SMILES Cc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)15-19(17-8-3-2-4-9-17)21-13-11-20-12-14-21/h2-10,19-20H,11-15H2,1H3
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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188053
PNG
(1-(1-phenyl-2-(3-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)24-11-9-23-10-12-24/h1-8,13,18,23H,9-12,14H2
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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188056
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol | CHEMB...)
Show SMILES Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H22N2O/c21-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)20-11-9-19-10-12-20/h1-8,13,18-19,21H,9-12,14H2
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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]NA uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188052
PNG
(1-(2-(2-bromophenyl)-1-phenylethyl)piperazine | CH...)
Show SMILES Brc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21BrN2/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 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188054
PNG
(1-(2-(2-ethylphenyl)-1-phenylethyl)piperazine | CH...)
Show SMILES CCc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-2-17-8-6-7-11-19(17)16-20(18-9-4-3-5-10-18)22-14-12-21-13-15-22/h3-11,20-21H,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]5-HT uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188044
PNG
(1-(2-(3-methoxyphenyl)-1-phenylethyl)piperazine | ...)
Show SMILES COc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H24N2O/c1-22-18-9-5-6-16(14-18)15-19(17-7-3-2-4-8-17)21-12-10-20-11-13-21/h2-9,14,19-20H,10-13,15H2,1H3
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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]5-HT uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188052
PNG
(1-(2-(2-bromophenyl)-1-phenylethyl)piperazine | CH...)
Show SMILES Brc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H21BrN2/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 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline 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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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188046
PNG
(1-(1-phenyl-2-(2-(2,2,2-trifluoroethoxy)phenyl)eth...)
Show SMILES FC(F)(F)COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H23F3N2O/c21-20(22,23)15-26-19-9-5-4-8-17(19)14-18(16-6-2-1-3-7-16)25-12-10-24-11-13-25/h1-9,18,24H,10-15H2
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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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
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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]NA uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188043
PNG
(1-(2-(3-chlorophenyl)-1-phenylethyl)piperazine | C...)
Show SMILES Clc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H21ClN2/c19-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)21-11-9-20-10-12-21/h1-8,13,18,20H,9-12,14H2
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n/an/a 54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188046
PNG
(1-(1-phenyl-2-(2-(2,2,2-trifluoroethoxy)phenyl)eth...)
Show SMILES FC(F)(F)COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H23F3N2O/c21-20(22,23)15-26-19-9-5-4-8-17(19)14-18(16-6-2-1-3-7-16)25-12-10-24-11-13-25/h1-9,18,24H,10-15H2
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n/an/a 61n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188054
PNG
(1-(2-(2-ethylphenyl)-1-phenylethyl)piperazine | CH...)
Show SMILES CCc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-2-17-8-6-7-11-19(17)16-20(18-9-4-3-5-10-18)22-14-12-21-13-15-22/h3-11,20-21H,2,12-16H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188050
PNG
(2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile |...)
Show SMILES N#Cc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21N3/c20-15-18-9-5-4-8-17(18)14-19(16-6-2-1-3-7-16)22-12-10-21-11-13-22/h1-9,19,21H,10-14H2
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188050
PNG
(2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile |...)
Show SMILES N#Cc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21N3/c20-15-18-9-5-4-8-17(18)14-19(16-6-2-1-3-7-16)22-12-10-21-11-13-22/h1-9,19,21H,10-14H2
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n/an/a 87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188051
PNG
(1-(1-phenyl-2-o-tolylethyl)piperazine | CHEMBL2100...)
Show SMILES Cc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)15-19(17-8-3-2-4-9-17)21-13-11-20-12-14-21/h2-10,19-20H,11-15H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188044
PNG
(1-(2-(3-methoxyphenyl)-1-phenylethyl)piperazine | ...)
Show SMILES COc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H24N2O/c1-22-18-9-5-6-16(14-18)15-19(17-7-3-2-4-8-17)21-12-10-20-11-13-21/h2-9,14,19-20H,10-13,15H2,1H3
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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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188047
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzamide | CH...)
Show SMILES NC(=O)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H23N3O/c20-19(23)17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)22-11-9-21-10-12-22/h1-8,13,18,21H,9-12,14H2,(H2,20,23)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188057
PNG
(1-(2-(2-(methylsulfonyl)phenyl)-1-phenylethyl)pipe...)
Show SMILES CS(=O)(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O2S/c1-24(22,23)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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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188063
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzonitrile |...)
Show SMILES N#Cc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H21N3/c20-15-17-6-4-5-16(13-17)14-19(18-7-2-1-3-8-18)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14H2
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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]NA uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188047
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)benzamide | CH...)
Show SMILES NC(=O)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H23N3O/c20-19(23)17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)22-11-9-21-10-12-22/h1-8,13,18,21H,9-12,14H2,(H2,20,23)
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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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188053
PNG
(1-(1-phenyl-2-(3-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)24-11-9-23-10-12-24/h1-8,13,18,23H,9-12,14H2
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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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188061
PNG
(2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzamide | CH...)
Show SMILES NC(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23N3O/c20-19(23)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h1-9,18,21H,10-14H2,(H2,20,23)
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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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188061
PNG
(2-(2-phenyl-2-(piperazin-1-yl)ethyl)benzamide | CH...)
Show SMILES NC(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H23N3O/c20-19(23)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h1-9,18,21H,10-14H2,(H2,20,23)
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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]5-HT uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188057
PNG
(1-(2-(2-(methylsulfonyl)phenyl)-1-phenylethyl)pipe...)
Show SMILES CS(=O)(=O)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O2S/c1-24(22,23)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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n/an/a>400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188056
PNG
(3-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol | CHEMB...)
Show SMILES Oc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C18H22N2O/c21-17-8-4-5-15(13-17)14-18(16-6-2-1-3-7-16)20-11-9-19-10-12-20/h1-8,13,18-19,21H,9-12,14H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188046
PNG
(1-(1-phenyl-2-(2-(2,2,2-trifluoroethoxy)phenyl)eth...)
Show SMILES FC(F)(F)COc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H23F3N2O/c21-20(22,23)15-26-19-9-5-4-8-17(19)14-18(16-6-2-1-3-7-16)25-12-10-24-11-13-25/h1-9,18,24H,10-15H2
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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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188044
PNG
(1-(2-(3-methoxyphenyl)-1-phenylethyl)piperazine | ...)
Show SMILES COc1cccc(CC(N2CCNCC2)c2ccccc2)c1
Show InChI InChI=1S/C19H24N2O/c1-22-18-9-5-6-16(14-18)15-19(17-7-3-2-4-8-17)21-12-10-20-11-13-21/h2-9,14,19-20H,10-13,15H2,1H3
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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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188060
PNG
(1-(1-phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)pip...)
Show SMILES FC(F)(F)c1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2/c20-19(21,22)17-9-5-4-8-16(17)14-18(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
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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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188059
PNG
(1-(1,2-diphenylethyl)piperazine | CHEMBL214237)
Show SMILES C(C(N1CCNCC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
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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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188054
PNG
(1-(2-(2-ethylphenyl)-1-phenylethyl)piperazine | CH...)
Show SMILES CCc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2/c1-2-17-8-6-7-11-19(17)16-20(18-9-4-3-5-10-18)22-14-12-21-13-15-22/h3-11,20-21H,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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 uptake at NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
Sodium-dependent dopamine 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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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
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 DA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%