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PubMed code 19282174

Compile data set for download or QSAR
Found 85 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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50278526
PNG
(4-((naphthalen-2-yloxy)methyl)piperidine | CHEMBL4...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
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PubMed
311n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50278559
PNG
(7-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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404n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278480
PNG
((S)-N-butyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C18H24N2O2S/c1-2-3-12-20(17-10-11-19-14-17)23(21,22)18-9-8-15-6-4-5-7-16(15)13-18/h4-9,13,17,19H,2-3,10-12,14H2,1H3/t17-/m0/s1
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412n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278435
PNG
(CHEMBL512665 | N-butyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
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716n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278559
PNG
(7-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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3.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278526
PNG
(4-((naphthalen-2-yloxy)methyl)piperidine | CHEMBL4...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
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3.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278432
PNG
((S)-6-((pyrrolidin-3-yloxy)methyl)-2-naphthonitril...)
Show SMILES N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-3-15-8-13(2-4-14(15)7-12)11-19-16-5-6-18-10-16/h1-4,7-8,16,18H,5-6,10-11H2/t16-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278483
PNG
((S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278523
PNG
((+/-)-3-((naphthalen-2-yloxy)methyl)pyrrolidine | ...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNC1
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
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>5.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278562
PNG
(1-(2-(6-fluoronaphthalen-2-yl)ethyl)piperazine | C...)
Show SMILES Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Show InChI InChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
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8.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50278560
PNG
((+/-)-4-(2-methoxy-1-(naphthalen-2-yloxy)ethyl)pip...)
Show SMILES COCC(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C18H23NO2/c1-20-13-18(15-8-10-19-11-9-15)21-17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15,18-19H,8-11,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278563
PNG
(1-(2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl)piper...)
Show SMILES Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
Show InChI InChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
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1.01E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278433
PNG
((R)-3-((6-fluoronaphthalen-2-yl)methoxy)pyrrolidin...)
Show SMILES Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C15H16FNO/c16-14-4-3-12-7-11(1-2-13(12)8-14)10-18-15-5-6-17-9-15/h1-4,7-8,15,17H,5-6,9-10H2/t15-/m1/s1
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1.03E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278430
PNG
((S)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
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1.57E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278431
PNG
((R)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m1/s1
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1.64E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278521
PNG
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)
Show SMILES CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278522
PNG
(CHEMBL512130 | N-cyclobutyl-N-(naphthalen-2-ylmeth...)
Show SMILES C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278432
PNG
((S)-6-((pyrrolidin-3-yloxy)methyl)-2-naphthonitril...)
Show SMILES N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-3-15-8-13(2-4-14(15)7-12)11-19-16-5-6-18-10-16/h1-4,7-8,16,18H,5-6,10-11H2/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278559
PNG
(7-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278433
PNG
((R)-3-((6-fluoronaphthalen-2-yl)methoxy)pyrrolidin...)
Show SMILES Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C15H16FNO/c16-14-4-3-12-7-11(1-2-13(12)8-14)10-18-15-5-6-17-9-15/h1-4,7-8,15,17H,5-6,9-10H2/t15-/m1/s1
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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 radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278563
PNG
(1-(2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl)piper...)
Show SMILES Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
Show InChI InChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278482
PNG
((R)-N-isobutyl-N-(naphthalen-2-ylmethyl)pyrrolidin...)
Show SMILES CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-15(2)13-21(19-9-10-20-12-19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19-20H,9-10,12-14H2,1-2H3/t19-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278560
PNG
((+/-)-4-(2-methoxy-1-(naphthalen-2-yloxy)ethyl)pip...)
Show SMILES COCC(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C18H23NO2/c1-20-13-18(15-8-10-19-11-9-15)21-17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15,18-19H,8-11,13H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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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 radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278526
PNG
(4-((naphthalen-2-yloxy)methyl)piperidine | CHEMBL4...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278562
PNG
(1-(2-(6-fluoronaphthalen-2-yl)ethyl)piperazine | C...)
Show SMILES Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Show InChI InChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278483
PNG
((S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278435
PNG
(CHEMBL512665 | N-butyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278527
PNG
(6-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278480
PNG
((S)-N-butyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C18H24N2O2S/c1-2-3-12-20(17-10-11-19-14-17)23(21,22)18-9-8-15-6-4-5-7-16(15)13-18/h4-9,13,17,19H,2-3,10-12,14H2,1H3/t17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278431
PNG
((R)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278430
PNG
((S)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278523
PNG
((+/-)-3-((naphthalen-2-yloxy)methyl)pyrrolidine | ...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNC1
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278524
PNG
((S)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile | ...)
Show SMILES N#Cc1ccc2cc(OC[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278525
PNG
((R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile | ...)
Show SMILES N#Cc1ccc2cc(OC[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278482
PNG
((R)-N-isobutyl-N-(naphthalen-2-ylmethyl)pyrrolidin...)
Show SMILES CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-15(2)13-21(19-9-10-20-12-19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19-20H,9-10,12-14H2,1-2H3/t19-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278482
PNG
((R)-N-isobutyl-N-(naphthalen-2-ylmethyl)pyrrolidin...)
Show SMILES CC(C)CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-15(2)13-21(19-9-10-20-12-19)14-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,15,19-20H,9-10,12-14H2,1-2H3/t19-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278521
PNG
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)
Show SMILES CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278561
PNG
(1-(2-(naphthalen-2-yl)ethyl)piperazine | CHEMBL503...)
Show SMILES C(Cc1ccc2ccccc2c1)N1CCNCC1
Show InChI InChI=1S/C16H20N2/c1-2-4-16-13-14(5-6-15(16)3-1)7-10-18-11-8-17-9-12-18/h1-6,13,17H,7-12H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278521
PNG
((S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-...)
Show SMILES CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H26N2/c1-2-3-12-21(19-10-11-20-14-19)15-16-8-9-17-6-4-5-7-18(17)13-16/h4-9,13,19-20H,2-3,10-12,14-15H2,1H3/t19-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278481
PNG
((R)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278477
PNG
((R)-N-methyl-N-(pyrrolidin-3-yl)naphthalene-2-sulf...)
Show SMILES CN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278524
PNG
((S)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile | ...)
Show SMILES N#Cc1ccc2cc(OC[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278522
PNG
(CHEMBL512130 | N-cyclobutyl-N-(naphthalen-2-ylmeth...)
Show SMILES C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2
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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 radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278479
PNG
((S)-N-methyl-N-(pyrrolidin-3-yl)naphthalene-2-sulf...)
Show SMILES CN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m0/s1
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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 radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50278434
PNG
(CHEMBL469812 | N-ethyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-19(16-9-11-18-12-10-16)22(20,21)17-8-7-14-5-3-4-6-15(14)13-17/h3-8,13,16,18H,2,9-12H2,1H3
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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 radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278525
PNG
((R)-6-(pyrrolidin-3-ylmethoxy)-2-naphthonitrile | ...)
Show SMILES N#Cc1ccc2cc(OC[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-2-15-8-16(4-3-14(15)7-12)19-11-13-5-6-18-10-13/h1-4,7-8,13,18H,5-6,10-11H2/t13-/m1/s1
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n/an/a 772n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278560
PNG
((+/-)-4-(2-methoxy-1-(naphthalen-2-yloxy)ethyl)pip...)
Show SMILES COCC(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C18H23NO2/c1-20-13-18(15-8-10-19-11-9-15)21-17-7-6-14-4-2-3-5-16(14)12-17/h2-7,12,15,18-19H,8-11,13H2,1H3
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n/an/a 827n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278432
PNG
((S)-6-((pyrrolidin-3-yloxy)methyl)-2-naphthonitril...)
Show SMILES N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-3-15-8-13(2-4-14(15)7-12)11-19-16-5-6-18-10-16/h1-4,7-8,16,18H,5-6,10-11H2/t16-/m0/s1
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n/an/a 861n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278523
PNG
((+/-)-3-((naphthalen-2-yloxy)methyl)pyrrolidine | ...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNC1
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278431
PNG
((R)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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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 radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278523
PNG
((+/-)-3-((naphthalen-2-yloxy)methyl)pyrrolidine | ...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNC1
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
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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 radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278522
PNG
(CHEMBL512130 | N-cyclobutyl-N-(naphthalen-2-ylmeth...)
Show SMILES C(N(C1CCC1)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H26N2/c1-2-5-18-14-16(8-9-17(18)4-1)15-22(19-6-3-7-19)20-10-12-21-13-11-20/h1-2,4-5,8-9,14,19-21H,3,6-7,10-13,15H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278526
PNG
(4-((naphthalen-2-yloxy)methyl)piperidine | CHEMBL4...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278527
PNG
(6-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278433
PNG
((R)-3-((6-fluoronaphthalen-2-yl)methoxy)pyrrolidin...)
Show SMILES Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C15H16FNO/c16-14-4-3-12-7-11(1-2-13(12)8-14)10-18-15-5-6-17-9-15/h1-4,7-8,15,17H,5-6,9-10H2/t15-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278430
PNG
((S)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278481
PNG
((R)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278477
PNG
((R)-N-methyl-N-(pyrrolidin-3-yl)naphthalene-2-sulf...)
Show SMILES CN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H18N2O2S/c1-17(14-8-9-16-11-14)20(18,19)15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,16H,8-9,11H2,1H3/t14-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278481
PNG
((R)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278431
PNG
((R)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278559
PNG
(7-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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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 radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278483
PNG
((S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278480
PNG
((S)-N-butyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C18H24N2O2S/c1-2-3-12-20(17-10-11-19-14-17)23(21,22)18-9-8-15-6-4-5-7-16(15)13-18/h4-9,13,17,19H,2-3,10-12,14H2,1H3/t17-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278527
PNG
(6-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2cc(OCC3CCNCC3)ccc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-16-10-17(4-3-15(16)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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n/an/a 6.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278432
PNG
((S)-6-((pyrrolidin-3-yloxy)methyl)-2-naphthonitril...)
Show SMILES N#Cc1ccc2cc(CO[C@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C16H16N2O/c17-9-12-1-3-15-8-13(2-4-14(15)7-12)11-19-16-5-6-18-10-16/h1-4,7-8,16,18H,5-6,10-11H2/t16-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278526
PNG
(4-((naphthalen-2-yloxy)methyl)piperidine | CHEMBL4...)
Show SMILES C(Oc1ccc2ccccc2c1)C1CCNCC1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
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n/an/a>7.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278483
PNG
((S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3...)
Show SMILES CN(Cc1ccc2ccccc2c1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20N2/c1-18(16-8-9-17-11-16)12-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16-17H,8-9,11-12H2,1H3/t16-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278563
PNG
(1-(2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl)piper...)
Show SMILES Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
Show InChI InChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278559
PNG
(7-(piperidin-4-ylmethoxy)-2-naphthonitrile | CHEMB...)
Show SMILES N#Cc1ccc2ccc(OCC3CCNCC3)cc2c1
Show InChI InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
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n/an/a 8.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278434
PNG
(CHEMBL469812 | N-ethyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-19(16-9-11-18-12-10-16)22(20,21)17-8-7-14-5-3-4-6-15(14)13-17/h3-8,13,16,18H,2,9-12H2,1H3
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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 radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278434
PNG
(CHEMBL469812 | N-ethyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-19(16-9-11-18-12-10-16)22(20,21)17-8-7-14-5-3-4-6-15(14)13-17/h3-8,13,16,18H,2,9-12H2,1H3
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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 radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278562
PNG
(1-(2-(6-fluoronaphthalen-2-yl)ethyl)piperazine | C...)
Show SMILES Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Show InChI InChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278433
PNG
((R)-3-((6-fluoronaphthalen-2-yl)methoxy)pyrrolidin...)
Show SMILES Fc1ccc2cc(CO[C@@H]3CCNC3)ccc2c1 |r|
Show InChI InChI=1S/C15H16FNO/c16-14-4-3-12-7-11(1-2-13(12)8-14)10-18-15-5-6-17-9-15/h1-4,7-8,15,17H,5-6,9-10H2/t15-/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278430
PNG
((S)-3-(naphthalen-2-ylmethoxy)pyrrolidine | CHEMBL...)
Show SMILES C(O[C@H]1CCNC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278435
PNG
(CHEMBL512665 | N-butyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278562
PNG
(1-(2-(6-fluoronaphthalen-2-yl)ethyl)piperazine | C...)
Show SMILES Fc1ccc2cc(CCN3CCNCC3)ccc2c1
Show InChI InChI=1S/C16H19FN2/c17-16-4-3-14-11-13(1-2-15(14)12-16)5-8-19-9-6-18-7-10-19/h1-4,11-12,18H,5-10H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278480
PNG
((S)-N-butyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCCCN([C@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C18H24N2O2S/c1-2-3-12-20(17-10-11-19-14-17)23(21,22)18-9-8-15-6-4-5-7-16(15)13-18/h4-9,13,17,19H,2-3,10-12,14H2,1H3/t17-/m0/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 radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278478
PNG
((R)-N-ethyl-N-(pyrrolidin-3-yl)naphthalene-2-sulfo...)
Show SMILES CCN([C@@H]1CCNC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O2S/c1-2-18(15-9-10-17-12-15)21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17H,2,9-10,12H2,1H3/t15-/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 radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50278563
PNG
(1-(2-(6-fluoro-1-methylnaphthalen-2-yl)ethyl)piper...)
Show SMILES Cc1c(CCN2CCNCC2)ccc2cc(F)ccc12
Show InChI InChI=1S/C17H21FN2/c1-13-14(6-9-20-10-7-19-8-11-20)2-3-15-12-16(18)4-5-17(13)15/h2-5,12,19H,6-11H2,1H3
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n/an/a>3.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50278435
PNG
(CHEMBL512665 | N-butyl-N-(piperidin-4-yl)naphthale...)
Show SMILES CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2329-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.054
BindingDB Entry DOI: 10.7270/Q2251J39
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%