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PubMed code 16314097

Compile data set for download or QSAR
Found 113 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))
BDBM50178367
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178374
PNG
(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
Show InChI InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178375
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(23(2)22)10-15(14)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/m0/s1
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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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178400
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-nitro-1,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H16Cl2N2O2/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21(22)23)9-14(13)17/h2-4,6,8-9,12,17,20H,5,7H2,1H3/t12-,17-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178378
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)13-4-2-11(18(21)23)8-14(13)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178369
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H16Cl2N2/c1-22-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-21)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7H2,1H3/t13-,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178371
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(24)23-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178399
PNG
(CHEMBL381792 | N-((5S,8S)-5-(3,4-dichlorophenyl)-8...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)22-25(2,23)24/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178372
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1cncn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)8-12)15-4-3-13(9-16(15)19)25-11-23-10-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178391
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1ccnn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)25-9-8-23-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178381
PNG
((5S,8S)-methyl 5-(3,4-dichlorophenyl)-8-(methylami...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)OC
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(23)24-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3/t13-,18-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178370
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
Show InChI InChI=1S/C19H22Cl2N2O3S/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)27(25,26)23-8-9-24/h2-4,6,10-11,14,19,22-24H,5,7-9H2,1H3/t14-,19-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178382
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NC
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)25(23,24)22-2/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178383
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)24(2,22)23/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178398
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21)9-14(13)17/h2-4,6,8-9,12,17,20-21H,5,7H2,1H3/t12-,17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178379
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)14-9-11(24(20,22)23)3-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178402
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(23(2)22)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178385
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N,N-dimethyl-5-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)16-10-13(4-6-15(16)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178389
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c12
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(21)23/h2-5,7,9,11,16,22H,6,8H2,1H3,(H2,21,23)/t11-,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178396
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)15-6-4-13(10-16(15)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178368
PNG
(CHEMBL206598 | N-(((5S,8S)-5-(3,4-dichlorophenyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-23-26(2,24)25/h3-5,7,9-10,14,19,22-23H,6,8,11H2,1-2H3/t14-,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178376
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O/c1-23-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(22)24/h2-4,6,8,10,13,18,23H,5,7,9H2,1H3,(H2,22,24)/t13-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178387
PNG
((5R,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178390
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(21)23)2-4-13(14)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178374
PNG
(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
Show InChI InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178386
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H21Cl2N3O3S/c1-23-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(22)25)18(9-13(12)17)24-28(2,26)27/h3,5,7-9,11,17,23-24H,4,6H2,1-2H3,(H2,22,25)/t11-,17-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178387
PNG
((5R,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17+/m1/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178380
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N-methyl-5-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)15-9-12(19(24)23-2)3-5-14(15)18/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178376
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O/c1-23-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(22)24/h2-4,6,8,10,13,18,23H,5,7,9H2,1H3,(H2,22,24)/t13-,18-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178394
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(23)24/h2-4,6,8,10,13,18,22H,5,7,9H2,1H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178366
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(O)=O)c12
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(22)23/h2-5,7,9,11,16,21H,6,8H2,1H3,(H,22,23)/t11-,16-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178392
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)NC)c12
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-17-9-7-12(11-6-8-15(20)16(21)10-11)13-4-3-5-14(18(13)17)19(24)23-2/h3-6,8,10,12,17,22H,7,9H2,1-2H3,(H,23,24)/t12-,17-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178395
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(24(2,22)23)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178399
PNG
(CHEMBL381792 | N-((5S,8S)-5-(3,4-dichlorophenyl)-8...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)22-25(2,23)24/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178388
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(22)23)2-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H,22,23)/t12-,17-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178399
PNG
(CHEMBL381792 | N-((5S,8S)-5-(3,4-dichlorophenyl)-8...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)22-25(2,23)24/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/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 noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178393
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O4S/c1-22-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(24)25)18(9-13(12)17)23-28(2,26)27/h3,5,7-9,11,17,22-23H,4,6H2,1-2H3,(H,24,25)/t11-,17-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178384
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)N(C)C
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-9-7-14(12-4-8-17(20)18(21)10-12)15-6-5-13(11-16(15)19)26(24,25)23(2)3/h4-6,8,10-11,14,19,22H,7,9H2,1-3H3/t14-,19-/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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178397
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
Show InChI InChI=1S/C19H21Cl2NOS/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-24(2)23/h3-5,7,9-10,14,19,22H,6,8,11H2,1-2H3/t14-,19-,24?/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178368
PNG
(CHEMBL206598 | N-(((5S,8S)-5-(3,4-dichlorophenyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-23-26(2,24)25/h3-5,7,9-10,14,19,22-23H,6,8,11H2,1-2H3/t14-,19-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178373
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-17-7-5-12(10-3-6-15(19)16(20)9-10)13-4-2-11(18(22)23)8-14(13)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H,22,23)/t12-,17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178375
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(23(2)22)10-15(14)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178367
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178401
PNG
((5R,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178369
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H16Cl2N2/c1-22-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-21)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7H2,1H3/t13-,18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178370
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
Show InChI InChI=1S/C19H22Cl2N2O3S/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)27(25,26)23-8-9-24/h2-4,6,10-11,14,19,22-24H,5,7-9H2,1H3/t14-,19-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178383
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)24(2,22)23/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178404
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)N(C)C)c12
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-18-10-8-13(12-7-9-16(21)17(22)11-12)14-5-4-6-15(19(14)18)20(25)24(2)3/h4-7,9,11,13,18,23H,8,10H2,1-3H3/t13-,18-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178378
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)13-4-2-11(18(21)23)8-14(13)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178391
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1ccnn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)25-9-8-23-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178401
PNG
((5R,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178381
PNG
((5S,8S)-methyl 5-(3,4-dichlorophenyl)-8-(methylami...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)OC
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(23)24-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178372
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1cncn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)8-12)15-4-3-13(9-16(15)19)25-11-23-10-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178396
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)15-6-4-13(10-16(15)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178382
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NC
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)25(23,24)22-2/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178396
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)15-6-4-13(10-16(15)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178389
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c12
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(21)23/h2-5,7,9,11,16,22H,6,8H2,1H3,(H2,21,23)/t11-,16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178377
PNG
((5S,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178401
PNG
((5R,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178377
PNG
((5S,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178397
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
Show InChI InChI=1S/C19H21Cl2NOS/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-24(2)23/h3-5,7,9-10,14,19,22H,6,8,11H2,1-2H3/t14-,19-,24?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178398
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21)9-14(13)17/h2-4,6,8-9,12,17,20-21H,5,7H2,1H3/t12-,17-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178377
PNG
((5S,8R)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17+/m0/s1
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n/an/a 375n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178378
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)13-4-2-11(18(21)23)8-14(13)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178392
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)NC)c12
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-17-9-7-12(11-6-8-15(20)16(21)10-11)13-4-3-5-14(18(13)17)19(24)23-2/h3-6,8,10,12,17,22H,7,9H2,1-2H3,(H,23,24)/t12-,17-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178371
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(24)23-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178397
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CS(C)=O)cc12
Show InChI InChI=1S/C19H21Cl2NOS/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-24(2)23/h3-5,7,9-10,14,19,22H,6,8,11H2,1-2H3/t14-,19-,24?/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178371
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(24)23-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178370
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
Show InChI InChI=1S/C19H22Cl2N2O3S/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)27(25,26)23-8-9-24/h2-4,6,10-11,14,19,22-24H,5,7-9H2,1H3/t14-,19-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178366
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(O)=O)c12
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(22)23/h2-5,7,9,11,16,21H,6,8H2,1H3,(H,22,23)/t11-,16-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178391
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1ccnn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)25-9-8-23-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178398
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21)9-14(13)17/h2-4,6,8-9,12,17,20-21H,5,7H2,1H3/t12-,17-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178372
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(1H-1,2,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-n1cncn1
Show InChI InChI=1S/C19H18Cl2N4/c1-22-19-7-5-14(12-2-6-17(20)18(21)8-12)15-4-3-13(9-16(15)19)25-11-23-10-24-25/h2-4,6,8-11,14,19,22H,5,7H2,1H3/t14-,19-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178367
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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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 noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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n/an/a 825n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178400
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-nitro-1,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H16Cl2N2O2/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21(22)23)9-14(13)17/h2-4,6,8-9,12,17,20H,5,7H2,1H3/t12-,17-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178366
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(O)=O)c12
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(22)23/h2-5,7,9,11,16,21H,6,8H2,1H3,(H,22,23)/t11-,16-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178385
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N,N-dimethyl-5-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)16-10-13(4-6-15(16)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178376
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(N)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O/c1-23-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(22)24/h2-4,6,8,10,13,18,23H,5,7,9H2,1H3,(H2,22,24)/t13-,18-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178368
PNG
(CHEMBL206598 | N-(((5S,8S)-5-(3,4-dichlorophenyl)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-8-6-14(13-4-7-17(20)18(21)10-13)15-5-3-12(9-16(15)19)11-23-26(2,24)25/h3-5,7,9-10,14,19,22-23H,6,8,11H2,1-2H3/t14-,19-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178374
PNG
(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CO)cc12
Show InChI InChI=1S/C18H19Cl2NO/c1-21-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-22)8-15(14)18/h2-4,6,8-9,13,18,21-22H,5,7,10H2,1H3/t13-,18-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50178403
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(cc(C(N)=O)c12)C(N)=O
Show InChI InChI=1S/C19H19Cl2N3O2/c1-24-16-5-3-11(9-2-4-14(20)15(21)8-9)12-6-10(18(22)25)7-13(17(12)16)19(23)26/h2,4,6-8,11,16,24H,3,5H2,1H3,(H2,22,25)(H2,23,26)/t11-,16-/m0/s1
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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 serotonin re-uptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178390
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(21)23)2-4-13(14)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178402
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(23(2)22)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178389
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c12
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-16-8-6-11(10-5-7-14(19)15(20)9-10)12-3-2-4-13(17(12)16)18(21)23/h2-5,7,9,11,16,22H,6,8H2,1H3,(H2,21,23)/t11-,16-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178381
PNG
((5S,8S)-methyl 5-(3,4-dichlorophenyl)-8-(methylami...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C(=O)OC
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)14-5-3-12(9-15(14)18)19(23)24-2/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178382
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NC
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)25(23,24)22-2/h3-5,7,9-10,13,18,21-22H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178390
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(N)=O
Show InChI InChI=1S/C18H18Cl2N2O/c1-22-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(21)23)2-4-13(14)17/h2-4,6,8-9,12,17,22H,5,7H2,1H3,(H2,21,23)/t12-,17-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178395
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(24(2,22)23)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178384
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)N(C)C
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-9-7-14(12-4-8-17(20)18(21)10-12)15-6-5-13(11-16(15)19)26(24,25)23(2)3/h4-6,8,10-11,14,19,22H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178392
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N-methyl-8-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)NC)c12
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-17-9-7-12(11-6-8-15(20)16(21)10-11)13-4-3-5-14(18(13)17)19(24)23-2/h3-6,8,10,12,17,22H,7,9H2,1-2H3,(H,23,24)/t12-,17-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178402
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(23(2)22)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178375
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)=O
Show InChI InChI=1S/C18H19Cl2NOS/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(23(2)22)10-15(14)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-,23?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178386
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H21Cl2N3O3S/c1-23-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(22)25)18(9-13(12)17)24-28(2,26)27/h3,5,7-9,11,17,23-24H,4,6H2,1-2H3,(H2,22,25)/t11-,17-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178383
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)14-5-4-12(10-15(14)18)24(2,22)23/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178379
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)14-9-11(24(20,22)23)3-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178379
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)14-9-11(24(20,22)23)3-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178384
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-N,N-dimethyl-8-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)N(C)C
Show InChI InChI=1S/C19H22Cl2N2O2S/c1-22-19-9-7-14(12-4-8-17(20)18(21)10-12)15-6-5-13(11-16(15)19)26(24,25)23(2)3/h4-6,8,10-11,14,19,22H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178400
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-nitro-1,...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H16Cl2N2O2/c1-20-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(21(22)23)9-14(13)17/h2-4,6,8-9,12,17,20H,5,7H2,1H3/t12-,17-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178369
PNG
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H16Cl2N2/c1-22-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-21)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7H2,1H3/t13-,18-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178380
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N-methyl-5-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)15-9-12(19(24)23-2)3-5-14(15)18/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178386
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(N)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H21Cl2N3O3S/c1-23-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(22)25)18(9-13(12)17)24-28(2,26)27/h3,5,7-9,11,17,23-24H,4,6H2,1-2H3,(H2,22,25)/t11-,17-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178395
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-6-(methyls...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H19Cl2NO2S/c1-21-18-8-6-13(11-3-7-16(19)17(20)9-11)15-10-12(24(2,22)23)4-5-14(15)18/h3-5,7,9-10,13,18,21H,6,8H2,1-2H3/t13-,18-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178380
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N-methyl-5-(methyla...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)NC
Show InChI InChI=1S/C19H20Cl2N2O/c1-22-18-8-6-13(11-4-7-16(20)17(21)10-11)15-9-12(19(24)23-2)3-5-14(15)18/h3-5,7,9-10,13,18,22H,6,8H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178394
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(23)24/h2-4,6,8,10,13,18,22H,5,7,9H2,1H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178393
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O4S/c1-22-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(24)25)18(9-13(12)17)23-28(2,26)27/h3,5,7-9,11,17,22-23H,4,6H2,1-2H3,(H,24,25)/t11-,17-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178394
PNG
(2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C19H19Cl2NO2/c1-22-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(23)24/h2-4,6,8,10,13,18,22H,5,7,9H2,1H3,(H,23,24)/t13-,18-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178385
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-N,N-dimethyl-5-(met...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(=O)N(C)C
Show InChI InChI=1S/C20H22Cl2N2O/c1-23-19-9-7-14(12-5-8-17(21)18(22)11-12)16-10-13(4-6-15(16)19)20(25)24(2)3/h4-6,8,10-11,14,19,23H,7,9H2,1-3H3/t14-,19-/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178393
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C19H20Cl2N2O4S/c1-22-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(24)25)18(9-13(12)17)23-28(2,26)27/h3,5,7-9,11,17,22-23H,4,6H2,1-2H3,(H,24,25)/t11-,17-/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50178388
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(22)23)2-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H,22,23)/t12-,17-/m0/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50178388
PNG
((5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-5,6...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C18H17Cl2NO2/c1-21-17-7-5-12(10-3-6-15(19)16(20)9-10)14-8-11(18(22)23)2-4-13(14)17/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H,22,23)/t12-,17-/m0/s1
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n/an/a 2.03E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1434-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%