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Compile Data Set for Download or QSAR

Found 133 hits Enz. Inhib. hit(s) with all data for entry = 50026621   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50262625
PNG
(CHEMBL476312 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262626
PNG
(CHEMBL515936 | Ethanesulfonic acid biphenyl-2-ylme...)
Show SMILES CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H24N2O2S/c1-2-24(22,23)21(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3/t18-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262415
PNG
((S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)iso...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262627
PNG
(CHEMBL476313 | Propane-1-sulfonic acid biphenyl-2-...)
Show SMILES CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262678
PNG
((S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carb...)
Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262684
PNG
(CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...)
Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262679
PNG
(CHEMBL478835 | Propane-2-sulfonic acid biphenyl-2-...)
Show SMILES CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H26N2O2S/c1-16(2)25(23,24)22(19-12-13-21-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,21H,12-15H2,1-2H3/t19-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262729
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262630
PNG
(Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m1/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262677
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H22N2O2/c1-23-19(22)21(17-11-12-20-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262733
PNG
((2-Phenoxy-benzyl)-(S)-pyrrolidin-3-yl-carbamic ac...)
Show SMILES CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O3/c1-2-24-20(23)22(17-12-13-21-14-17)15-16-8-6-7-11-19(16)25-18-9-4-3-5-10-18/h3-11,17,21H,2,12-15H2,1H3/t17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262619
PNG
(CHEMBL507723 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262624
PNG
(CHEMBL477148 | Pyrrolidine-1-carboxylic acid biphe...)
Show SMILES O=C(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)N1CCCC1 |r|
Show InChI InChI=1S/C22H27N3O/c26-22(24-14-6-7-15-24)25(20-12-13-23-16-20)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,20,23H,6-7,12-17H2/t20-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262631
PNG
(CHEMBL478622 | N-Biphenyl-2-ylmethyl-N-(R)-pyrroli...)
Show SMILES CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m1/s1
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262728
PNG
(CHEMBL477782 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262620
PNG
(CHEMBL476941 | N-Biphenyl-2-ylmethyl-3-methyl-N-(S...)
Show SMILES CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262680
PNG
(CHEMBL477571 | N-Biphenyl-2-ylmethyl-C,C,C-trifluo...)
Show SMILES FC(F)(F)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H19F3N2O2S/c19-18(20,21)26(24,25)23(16-10-11-22-12-16)13-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,22H,10-13H2/t16-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262676
PNG
((S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobuty...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1
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34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262731
PNG
((S)-Pyrrolidin-3-yl-(2-trifluoromethyl-benzyl)-car...)
Show SMILES CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19F3N2O2/c1-2-22-14(21)20(12-7-8-19-9-12)10-11-5-3-4-6-13(11)15(16,17)18/h3-6,12,19H,2,7-10H2,1H3/t12-/m0/s1
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46n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262730
PNG
((2-Isopropyl-benzyl)-(S)-pyrrolidin-3-yl-carbamic ...)
Show SMILES CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C17H26N2O2/c1-4-21-17(20)19(15-9-10-18-11-15)12-14-7-5-6-8-16(14)13(2)3/h5-8,13,15,18H,4,9-12H2,1-3H3/t15-/m0/s1
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49n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262675
PNG
((S)-N-(2-(methylthio)benzyl)-N-(pyrrolidin-3-yl)is...)
Show SMILES CSc1ccccc1CN([C@H]1CCNC1)C(=O)C(C)C |r|
Show InChI InChI=1S/C16H24N2OS/c1-12(2)16(19)18(14-8-9-17-10-14)11-13-6-4-5-7-15(13)20-3/h4-7,12,14,17H,8-11H2,1-3H3/t14-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262734
PNG
(1-Biphenyl-2-ylmethyl-3,3-dimethyl-1-(S)-pyrrolidi...)
Show SMILES CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H25N3O/c1-22(2)20(24)23(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3/t18-/m0/s1
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53n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262674
PNG
(CHEMBL476527 | N-(S)-Pyrrolidin-3-yl-N-(2-trifluor...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H21F3N2O/c1-11(2)15(22)21(13-7-8-20-9-13)10-12-5-3-4-6-14(12)16(17,18)19/h3-6,11,13,20H,7-10H2,1-2H3/t13-/m0/s1
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63n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262675
PNG
((S)-N-(2-(methylthio)benzyl)-N-(pyrrolidin-3-yl)is...)
Show SMILES CSc1ccccc1CN([C@H]1CCNC1)C(=O)C(C)C |r|
Show InChI InChI=1S/C16H24N2OS/c1-12(2)16(19)18(14-8-9-17-10-14)11-13-6-4-5-7-15(13)20-3/h4-7,12,14,17H,8-11H2,1-3H3/t14-/m0/s1
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65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262621
PNG
(CHEMBL476942 | N-(2-Isopropyl-benzyl)-N-(S)-pyrrol...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)17-8-6-5-7-15(17)12-20(18(21)14(3)4)16-9-10-19-11-16/h5-8,13-14,16,19H,9-12H2,1-4H3/t16-/m0/s1
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70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262622
PNG
(CHEMBL450435 | N-(2-Cyclopropyl-benzyl)-N-(S)-pyrr...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H26N2O/c1-13(2)18(21)20(16-9-10-19-11-16)12-15-5-3-4-6-17(15)14-7-8-14/h3-6,13-14,16,19H,7-12H2,1-2H3/t16-/m0/s1
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74n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262681
PNG
((S)-N-(2-(trifluoromethyl)benzyl)-N-(pyrrolidin-3-...)
Show SMILES CS(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C13H17F3N2O2S/c1-21(19,20)18(11-6-7-17-8-11)9-10-4-2-3-5-12(10)13(14,15)16/h2-5,11,17H,6-9H2,1H3/t11-/m0/s1
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86n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262682
PNG
(CHEMBL477572 | N-(2-Methylsulfanyl-benzyl)-N-(S)-p...)
Show SMILES CSc1ccccc1CN([C@H]1CCNC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C13H20N2O2S2/c1-18-13-6-4-3-5-11(13)10-15(19(2,16)17)12-7-8-14-9-12/h3-6,12,14H,7-10H2,1-2H3/t12-/m0/s1
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86n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262732
PNG
((2-Methylsulfanyl-benzyl)-(S)-pyrrolidin-3-yl-carb...)
Show SMILES CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H22N2O2S/c1-3-19-15(18)17(13-8-9-16-10-13)11-12-6-4-5-7-14(12)20-2/h4-7,13,16H,3,8-11H2,1-2H3/t13-/m0/s1
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89n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262683
PNG
(CHEMBL477573 | N-(2-Phenoxy-benzyl)-N-(S)-pyrrolid...)
Show SMILES CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H22N2O3S/c1-24(21,22)20(16-11-12-19-13-16)14-15-7-5-6-10-18(15)23-17-8-3-2-4-9-17/h2-10,16,19H,11-14H2,1H3/t16-/m0/s1
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96n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262726
PNG
(CHEMBL449235 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H20N2O/c21-14-20(17-10-11-19-12-17)13-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,14,17,19H,10-13H2/t17-/m0/s1
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118n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262727
PNG
(CHEMBL479044 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H22N2O/c1-15(22)21(18-11-12-20-13-18)14-17-9-5-6-10-19(17)16-7-3-2-4-8-16/h2-10,18,20H,11-14H2,1H3/t18-/m0/s1
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124n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262622
PNG
(CHEMBL450435 | N-(2-Cyclopropyl-benzyl)-N-(S)-pyrr...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H26N2O/c1-13(2)18(21)20(16-9-10-19-11-16)12-15-5-3-4-6-17(15)14-7-8-14/h3-6,13-14,16,19H,7-12H2,1-2H3/t16-/m0/s1
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124n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262674
PNG
(CHEMBL476527 | N-(S)-Pyrrolidin-3-yl-N-(2-trifluor...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H21F3N2O/c1-11(2)15(22)21(13-7-8-20-9-13)10-12-5-3-4-6-14(12)16(17,18)19/h3-6,11,13,20H,7-10H2,1-2H3/t13-/m0/s1
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133n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262676
PNG
((S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobuty...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1
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229n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262725
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine | CH...)
Show SMILES C(N[C@H]1CCNC1)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C17H20N2/c1-2-6-14(7-3-1)17-9-5-4-8-15(17)12-19-16-10-11-18-13-16/h1-9,16,18-19H,10-13H2/t16-/m0/s1
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271n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262732
PNG
((2-Methylsulfanyl-benzyl)-(S)-pyrrolidin-3-yl-carb...)
Show SMILES CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H22N2O2S/c1-3-19-15(18)17(13-8-9-16-10-13)11-12-6-4-5-7-14(12)20-2/h4-7,13,16H,3,8-11H2,1-2H3/t13-/m0/s1
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353n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262630
PNG
(Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m1/s1
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410n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262620
PNG
(CHEMBL476941 | N-Biphenyl-2-ylmethyl-3-methyl-N-(S...)
Show SMILES CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1
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415n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262731
PNG
((S)-Pyrrolidin-3-yl-(2-trifluoromethyl-benzyl)-car...)
Show SMILES CCOC(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19F3N2O2/c1-2-22-14(21)20(12-7-8-19-9-12)10-11-5-3-4-6-13(11)15(16,17)18/h3-6,12,19H,2,7-10H2,1H3/t12-/m0/s1
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427n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262733
PNG
((2-Phenoxy-benzyl)-(S)-pyrrolidin-3-yl-carbamic ac...)
Show SMILES CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O3/c1-2-24-20(23)22(17-12-13-21-14-17)15-16-8-6-7-11-19(16)25-18-9-4-3-5-10-18/h3-11,17,21H,2,12-15H2,1H3/t17-/m0/s1
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444n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262629
PNG
(CHEMBL478623 | Ethanesulfonic acid biphenyl-2-ylme...)
Show SMILES CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCN(C)C1 |r|
Show InChI InChI=1S/C20H26N2O2S/c1-3-25(23,24)22(19-13-14-21(2)16-19)15-18-11-7-8-12-20(18)17-9-5-4-6-10-17/h4-12,19H,3,13-16H2,1-2H3/t19-/m0/s1
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466n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262621
PNG
(CHEMBL476942 | N-(2-Isopropyl-benzyl)-N-(S)-pyrrol...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)17-8-6-5-7-15(17)12-20(18(21)14(3)4)16-9-10-19-11-16/h5-8,13-14,16,19H,9-12H2,1-4H3/t16-/m0/s1
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544n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50262678
PNG
((S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carb...)
Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
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635n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor (unknown origin)


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262619
PNG
(CHEMBL507723 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1
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730n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262628
PNG
(CHEMBL476315 | N-Biphenyl-2-ylmethyl-N-((S)-1-meth...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C19H24N2O2S/c1-20-13-12-18(15-20)21(24(2,22)23)14-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3/t18-/m0/s1
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748n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262730
PNG
((2-Isopropyl-benzyl)-(S)-pyrrolidin-3-yl-carbamic ...)
Show SMILES CCOC(=O)N(Cc1ccccc1C(C)C)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C17H26N2O2/c1-4-21-17(20)19(15-9-10-18-11-15)12-14-7-5-6-8-16(14)13(2)3/h5-8,13,15,18H,4,9-12H2,1-3H3/t15-/m0/s1
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764n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262729
PNG
(Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...)
Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
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787n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262726
PNG
(CHEMBL449235 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...)
Show SMILES O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C18H20N2O/c21-14-20(17-10-11-19-12-17)13-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,14,17,19H,10-13H2/t17-/m0/s1
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869n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262415
PNG
((S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)iso...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
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960n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
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