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PubMed code 18782666

Compile data set for download or QSAR
Found 34 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))		BDBM50263865
PNG
(CHEMBL488326 | N,N-dimethyl-1-(4-(4-(methylthio)ph...)
Show SMILES CSc1ccc(Oc2ccncc2CN(C)C)cc1
Show InChI InChI=1S/C15H18N2OS/c1-17(2)11-12-10-16-9-8-15(12)18-13-4-6-14(19-3)7-5-13/h4-10H,11H2,1-3H3
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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 [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263916
PNG
(1-(4-(2,3-dihydrobenzo[b]thiophen-5-yloxy)pyridin-...)
Show SMILES CN(C)Cc1cnccc1Oc1ccc2SCCc2c1
Show InChI InChI=1S/C16H18N2OS/c1-18(2)11-13-10-17-7-5-15(13)19-14-3-4-16-12(9-14)6-8-20-16/h3-5,7,9-10H,6,8,11H2,1-2H3
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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 [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263966
PNG
(3-((dimethylamino)methyl)-4-(4-(methylthio)phenoxy...)
Show SMILES CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264029
PNG
(CHEMBL522584 | N-(2-hydroxyethyl)-N-methyl-3-((met...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)S(=O)(=O)N(C)CCO
Show InChI InChI=1S/C18H24N2O4S2/c1-19-13-14-12-17(26(22,23)20(2)10-11-21)8-9-18(14)24-15-4-6-16(25-3)7-5-15/h4-9,12,19,21H,10-11,13H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264083
PNG
(3-((dimethylamino)methyl)-4-(3-methyl-4-(methylthi...)
Show SMILES CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1C
Show InChI InChI=1S/C17H22N2O3S2/c1-12-9-14(5-8-17(12)23-4)22-16-7-6-15(24(18,20)21)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,20,21)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263915
PNG
(1-(4-(3-chloro-4-(methylthio)phenoxy)pyridin-3-yl)...)
Show SMILES CSc1ccc(Oc2ccncc2CN(C)C)cc1Cl
Show InChI InChI=1S/C15H17ClN2OS/c1-18(2)10-11-9-17-7-6-14(11)19-12-4-5-15(20-3)13(16)8-12/h4-9H,10H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263863
PNG
(CHEMBL490204 | N,N-dimethyl-1-(5-methyl-2-(4-(meth...)
Show SMILES CSc1ccc(Oc2ccc(C)cc2CN(C)C)cc1
Show InChI InChI=1S/C17H21NOS/c1-13-5-10-17(14(11-13)12-18(2)3)19-15-6-8-16(20-4)9-7-15/h5-11H,12H2,1-4H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50252122
PNG
(CHEMBL479410 | N-(3-((dimethylamino)methyl)-4-(4-(...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263917
PNG
(CHEMBL450067 | N-(3-((dimethylamino)methyl)-4-(4-(...)
Show SMILES CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
Show InChI InChI=1S/C17H22N2O3S2/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)22-15-6-8-16(23-3)9-7-15/h5-11,18H,12H2,1-4H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263864
PNG
(1-(5-methoxy-2-(4-(methylthio)phenoxy)phenyl)-N,N-...)
Show SMILES COc1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
Show InChI InChI=1S/C17H21NO2S/c1-18(2)12-13-11-15(19-3)7-10-17(13)20-14-5-8-16(21-4)9-6-14/h5-11H,12H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263963
PNG
(CHEMBL489562 | N-(4-(2,3-dihydrobenzo[b]thiophen-5...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCc2c1
Show InChI InChI=1S/C18H22N2O3S2/c1-20(2)12-14-10-15(19-25(3,21)22)4-6-17(14)23-16-5-7-18-13(11-16)8-9-24-18/h4-7,10-11,19H,8-9,12H2,1-3H3
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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]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263866
PNG
(CHEMBL489186 | N,N-dimethyl-1-(4-(3-methyl-4-(meth...)
Show SMILES CSc1ccc(Oc2ccncc2CN(C)C)cc1C
Show InChI InChI=1S/C16H20N2OS/c1-12-9-14(5-6-16(12)20-4)19-15-7-8-17-10-13(15)11-18(2)3/h5-10H,11H2,1-4H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264031
PNG
(3-((dimethylamino)methyl)-4-(3-fluoro-4-(methylthi...)
Show SMILES CSc1ccc(Oc2ccc(cc2CN(C)C)S(N)(=O)=O)cc1F
Show InChI InChI=1S/C16H19FN2O3S2/c1-19(2)10-11-8-13(24(18,20)21)5-6-15(11)22-12-4-7-16(23-3)14(17)9-12/h4-9H,10H2,1-3H3,(H2,18,20,21)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264027
PNG
(3-((dimethylamino)methyl)-N-methyl-4-(4-(methylthi...)
Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(SC)cc2)c(CN(C)C)c1
Show InChI InChI=1S/C17H22N2O3S2/c1-18-24(20,21)16-9-10-17(13(11-16)12-19(2)3)22-14-5-7-15(23-4)8-6-14/h5-11,18H,12H2,1-4H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50252018
PNG
((5-fluoro-2-(4-(methylthio)phenoxy)phenyl)-N,N-dim...)
Show SMILES CSc1ccc(Oc2ccc(F)cc2CN(C)C)cc1
Show InChI InChI=1S/C16H18FNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263919
PNG
(CHEMBL490382 | N-(3-((methylamino)methyl)-4-(4-(me...)
Show SMILES CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1F
Show InChI InChI=1S/C17H21FN2O3S2/c1-20(2)11-12-9-13(19-25(4,21)22)5-7-16(12)23-14-6-8-17(24-3)15(18)10-14/h5-10,19H,11H2,1-4H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263918
PNG
(CHEMBL491595 | N-(3-((methylamino)methyl)-4-(4-(me...)
Show SMILES CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)cc1
Show InChI InChI=1S/C16H20N2O3S2/c1-17-11-12-10-13(18-23(3,19)20)4-9-16(12)21-14-5-7-15(22-2)8-6-14/h4-10,17-18H,11H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263965
PNG
(CHEMBL491601 | N-(4-(2,3-dihydrobenzo[b][1,4]oxath...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCOc2c1
Show InChI InChI=1S/C18H22N2O4S2/c1-20(2)12-13-10-14(19-26(3,21)22)4-6-16(13)24-15-5-7-18-17(11-15)23-8-9-25-18/h4-7,10-11,19H,8-9,12H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263920
PNG
(CHEMBL490383 | N-(4-(3-fluoro-4-(methylthio)phenox...)
Show SMILES CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1
Show InChI InChI=1S/C16H19FN2O3S2/c1-18-10-11-8-12(19-24(3,20)21)4-6-15(11)22-13-5-7-16(23-2)14(17)9-13/h4-9,18-19H,10H2,1-3H3
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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]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263964
PNG
(CHEMBL491400 | N-(3-((dimethylamino)methyl)-4-(3-m...)
Show SMILES CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1C
Show InChI InChI=1S/C18H24N2O3S2/c1-13-10-16(7-9-18(13)24-4)23-17-8-6-15(19-25(5,21)22)11-14(17)12-20(2)3/h6-11,19H,12H2,1-5H3
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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]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263861
PNG
(1-(5-fluoro-2-(4-(methylsulfinyl)phenoxy)phenyl)-N...)
Show SMILES CN(C)Cc1cc(F)ccc1Oc1ccc(cc1)S(C)=O
Show InChI InChI=1S/C16H18FNO2S/c1-18(2)11-12-10-13(17)4-9-16(12)20-14-5-7-15(8-6-14)21(3)19/h4-10H,11H2,1-3H3
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n/an/a 600n/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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263862
PNG
(1-(5-fluoro-2-(4-(methylsulfonyl)phenoxy)phenyl)-N...)
Show SMILES CN(C)Cc1cc(F)ccc1Oc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18FNO3S/c1-18(2)11-12-10-13(17)4-9-16(12)21-14-5-7-15(8-6-14)22(3,19)20/h4-10H,11H2,1-3H3
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n/an/a 750n/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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50252122
PNG
(CHEMBL479410 | N-(3-((dimethylamino)methyl)-4-(4-(...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
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n/an/a 770n/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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264028
PNG
(3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsul...)
Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
Show InChI InChI=1S/C17H22N2O4S2/c1-18-25(21,22)16-9-10-17(13(11-16)12-19(2)3)23-14-5-7-15(8-6-14)24(4)20/h5-11,18H,12H2,1-4H3
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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 [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264030
PNG
(CHEMBL523315 | N-(2-hydroxyethyl)-N-methyl-3-((met...)
Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(=O)(=O)N(C)CCO
Show InChI InChI=1S/C18H24N2O5S2/c1-19-13-14-12-17(27(23,24)20(2)10-11-21)8-9-18(14)25-15-4-6-16(7-5-15)26(3)22/h4-9,12,19,21H,10-11,13H2,1-3H3
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50263967
PNG
(3-((dimethylamino)methyl)-4-(4-(methylsulfinyl)phe...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50264028
PNG
(3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsul...)
Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
Show InChI InChI=1S/C17H22N2O4S2/c1-18-25(21,22)16-9-10-17(13(11-16)12-19(2)3)23-14-5-7-15(8-6-14)24(4)20/h5-11,18H,12H2,1-4H3
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n/an/a 9.00E+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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50263967
PNG
(3-((dimethylamino)methyl)-4-(4-(methylsulfinyl)phe...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50264084
PNG
(3-((dimethylamino)methyl)-4-(3-methyl-4-(methylsul...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(c(C)c1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-12-9-14(5-8-17(12)24(4)20)23-16-7-6-15(25(18,21)22)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,21,22)
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Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50264084
PNG
(3-((dimethylamino)methyl)-4-(3-methyl-4-(methylsul...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(c(C)c1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-12-9-14(5-8-17(12)24(4)20)23-16-7-6-15(25(18,21)22)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,21,22)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50263967
PNG
(3-((dimethylamino)methyl)-4-(4-(methylsulfinyl)phe...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(cc1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-18(2)11-12-10-15(24(17,20)21)8-9-16(12)22-13-4-6-14(7-5-13)23(3)19/h4-10H,11H2,1-3H3,(H2,17,20,21)
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Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50264084
PNG
(3-((dimethylamino)methyl)-4-(3-methyl-4-(methylsul...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(c(C)c1)S(C)=O)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-12-9-14(5-8-17(12)24(4)20)23-16-7-6-15(25(18,21)22)10-13(16)11-19(2)3/h5-10H,11H2,1-4H3,(H2,18,21,22)
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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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50252122
PNG
(CHEMBL479410 | N-(3-((dimethylamino)methyl)-4-(4-(...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O3S/c1-22(2)11-12-10-14(21-26(3,23)24)6-9-16(12)25-15-7-4-13(5-8-15)17(18,19)20/h4-10,21H,11H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50264028
PNG
(3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsul...)
Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
Show InChI InChI=1S/C17H22N2O4S2/c1-18-25(21,22)16-9-10-17(13(11-16)12-19(2)3)23-14-5-7-15(8-6-14)24(4)20/h5-11,18H,12H2,1-4H3
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n/an/a 1.30E+4n/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

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%