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PubMed code 18625557

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262471
PNG
((R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50203945
PNG
((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...)
Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50203945
PNG
((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...)
Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
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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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262412
PNG
((S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-...)
Show SMILES CC(C)CC(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-11(2)8-15(21)20(13-6-7-19-9-13)10-12-4-3-5-14(17)16(12)18/h3-5,11,13,19H,6-10H2,1-2H3/t13-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262468
PNG
((S)-N-(2-fluoro-4-(trifluoromethyl)benzyl)-N-(pyrr...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1F)C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20F4N2O/c1-10(2)15(23)22(13-5-6-21-8-13)9-11-3-4-12(7-14(11)17)16(18,19)20/h3-4,7,10,13,21H,5-6,8-9H2,1-2H3/t13-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262363
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cycl...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262300
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)prop...)
Show SMILES CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-14(19)18(12-5-6-17-8-12)9-10-3-4-11(15)7-13(10)16/h3-4,7,12,17H,2,5-6,8-9H2,1H3/t12-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262413
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)piva...)
Show SMILES CC(C)(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(12-7-8-19-9-12)10-11-5-4-6-13(17)14(11)18/h4-6,12,19H,7-10H2,1-3H3/t12-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262362
PNG
((S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrroli...)
Show SMILES CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262467
PNG
((S)-N-(2,3,5-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(12-3-4-19-7-12)8-10-5-11(16)6-13(17)14(10)18/h5-6,9,12,19H,3-4,7-8H2,1-2H3/t12-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262360
PNG
((S)-N-(2,4-dichlorobenzyl)-3-methyl-N-(pyrrolidin-...)
Show SMILES CC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-11(2)7-16(21)20(14-5-6-19-9-14)10-12-3-4-13(17)8-15(12)18/h3-4,8,11,14,19H,5-7,9-10H2,1-2H3/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262301
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)buty...)
Show SMILES CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-2-3-15(20)19(13-6-7-18-9-13)10-11-4-5-12(16)8-14(11)17/h4-5,8,13,18H,2-3,6-7,9-10H2,1H3/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262302
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pent...)
Show SMILES CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20(14-7-8-19-10-14)11-12-5-6-13(17)9-15(12)18/h5-6,9,14,19H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262471
PNG
((R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262363
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cycl...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H18Cl2N2O/c16-12-4-3-11(14(17)7-12)9-19(13-5-6-18-8-13)15(20)10-1-2-10/h3-4,7,10,13,18H,1-2,5-6,8-9H2/t13-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262362
PNG
((S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrroli...)
Show SMILES CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262361
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)piva...)
Show SMILES CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(13-6-7-19-9-13)10-11-4-5-12(17)8-14(11)18/h4-5,8,13,19H,6-7,9-10H2,1-3H3/t13-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262364
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cycl...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CCC2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-5-4-12(15(18)8-13)10-20(14-6-7-19-9-14)16(21)11-2-1-3-11/h4-5,8,11,14,19H,1-3,6-7,9-10H2/t14-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262467
PNG
((S)-N-(2,3,5-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(12-3-4-19-7-12)8-10-5-11(16)6-13(17)14(10)18/h5-6,9,12,19H,3-4,7-8H2,1-2H3/t12-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262300
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)prop...)
Show SMILES CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-14(19)18(12-5-6-17-8-12)9-10-3-4-11(15)7-13(10)16/h3-4,7,12,17H,2,5-6,8-9H2,1H3/t12-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262412
PNG
((S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-...)
Show SMILES CC(C)CC(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-11(2)8-15(21)20(13-6-7-19-9-13)10-12-4-3-5-14(17)16(12)18/h3-5,11,13,19H,6-10H2,1-2H3/t13-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262364
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cycl...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)C2CCC2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-13-5-4-12(15(18)8-13)10-20(14-6-7-19-9-14)16(21)11-2-1-3-11/h4-5,8,11,14,19H,1-3,6-7,9-10H2/t14-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262302
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pent...)
Show SMILES CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20(14-7-8-19-10-14)11-12-5-6-13(17)9-15(12)18/h5-6,9,14,19H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262301
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)buty...)
Show SMILES CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-2-3-15(20)19(13-6-7-18-9-13)10-11-4-5-12(16)8-14(11)17/h4-5,8,13,18H,2-3,6-7,9-10H2,1H3/t13-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262416
PNG
((S)-N-(2-chlorobenzyl)-N-(pyrrolidin-3-yl)isobutyr...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H21ClN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262361
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)piva...)
Show SMILES CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(13-6-7-19-9-13)10-11-4-5-12(17)8-14(11)18/h4-5,8,13,19H,6-7,9-10H2,1-3H3/t13-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262360
PNG
((S)-N-(2,4-dichlorobenzyl)-3-methyl-N-(pyrrolidin-...)
Show SMILES CC(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-11(2)7-16(21)20(14-5-6-19-9-14)10-12-3-4-13(17)8-15(12)18/h3-4,8,11,14,19H,5-7,9-10H2,1-2H3/t14-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262365
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)benz...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262469
PNG
((S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl...)
Show SMILES CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262416
PNG
((S)-N-(2-chlorobenzyl)-N-(pyrrolidin-3-yl)isobutyr...)
Show SMILES CC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H21ClN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262414
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)-tet...)
Show SMILES Clc1cccc(CN([C@H]2CCNC2)C(=O)C2CCOCC2)c1Cl |r|
Show InChI InChI=1S/C17H22Cl2N2O2/c18-15-3-1-2-13(16(15)19)11-21(14-4-7-20-10-14)17(22)12-5-8-23-9-6-12/h1-3,12,14,20H,4-11H2/t14-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262469
PNG
((S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl...)
Show SMILES CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262365
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)benz...)
Show SMILES Clc1ccc(CN([C@H]2CCNC2)C(=O)c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-7-6-14(17(20)10-15)12-22(16-8-9-21-11-16)18(23)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2/t16-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262414
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)-tet...)
Show SMILES Clc1cccc(CN([C@H]2CCNC2)C(=O)C2CCOCC2)c1Cl |r|
Show InChI InChI=1S/C17H22Cl2N2O2/c18-15-3-1-2-13(16(15)19)11-21(14-4-7-20-10-14)17(22)12-5-8-23-9-6-12/h1-3,12,14,20H,4-11H2/t14-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262413
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)piva...)
Show SMILES CC(C)(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)15(21)20(12-7-8-19-9-12)10-11-5-4-6-13(17)14(11)18/h4-6,12,19H,7-10H2,1-3H3/t12-/m0/s1
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n/an/a>322n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262470
PNG
((S)-N-(2,4-difluorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(F)cc1F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20F2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/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 [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50262470
PNG
((S)-N-(2,4-difluorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(F)cc1F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20F2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/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 [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50262468
PNG
((S)-N-(2-fluoro-4-(trifluoromethyl)benzyl)-N-(pyrr...)
Show SMILES CC(C)C(=O)N(Cc1ccc(cc1F)C(F)(F)F)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C16H20F4N2O/c1-10(2)15(23)22(13-5-6-21-8-13)9-11-3-4-12(7-14(11)17)16(18,19)20/h3-4,7,10,13,21H,5-6,8-9H2,1-2H3/t13-/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 [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
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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n/an/a>400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50203945
PNG
((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...)
Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r|
Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1
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n/an/a 727n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262471
PNG
((R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a 5.87E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a>6.87E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262362
PNG
((S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrroli...)
Show SMILES CC(C)(C)CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C17H24Cl2N2O/c1-17(2,3)9-16(22)21(14-6-7-20-10-14)11-12-4-5-13(18)8-15(12)19/h4-5,8,14,20H,6-7,9-11H2,1-3H3/t14-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50262466
PNG
((S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(11-5-6-19-7-11)8-10-3-4-12(16)14(18)13(10)17/h3-4,9,11,19H,5-8H2,1-2H3/t11-/m0/s1
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n/an/a 1.76E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262467
PNG
((S)-N-(2,3,5-trichlorobenzyl)-N-(pyrrolidin-3-yl)i...)
Show SMILES CC(C)C(=O)N(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H19Cl3N2O/c1-9(2)15(21)20(12-3-4-19-7-12)8-10-5-11(16)6-13(17)14(10)18/h5-6,9,12,19H,3-4,7-8H2,1-2H3/t12-/m0/s1
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n/an/a 2.16E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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n/an/a 2.18E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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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 [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50262303
PNG
((S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(16)7-14(11)17/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
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n/an/a 4.02E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel

Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%