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PubMed code 18417343

Compile data set for download or QSAR
Found 62 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))
BDBM50377576
PNG
(CHEMBL401596)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-13(16)4-5-14(11)19-15-6-7-17-9-12(15)10-18(2)3/h4-9H,10H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377573
PNG
(CHEMBL256136)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C14H14BrClN2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(16)7-12(14)15/h3-8H,9H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377579
PNG
(CHEMBL403078)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1OC
Show InChI InChI=1S/C15H17ClN2O2/c1-10-6-14(11(8-17-2)9-18-10)20-13-5-4-12(16)7-15(13)19-3/h4-7,9,17H,8H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377586
PNG
(CHEMBL257593)
Show SMILES COc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C15H17ClN2O2/c1-18(2)10-11-9-17-7-6-13(11)20-14-5-4-12(16)8-15(14)19-3/h4-9H,10H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377574
PNG
(CHEMBL256970)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C16H19ClN2O/c1-11-7-14(17)5-6-15(11)20-16-8-12(2)18-9-13(16)10-19(3)4/h5-9H,10H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377575
PNG
(CHEMBL256137)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C15H17ClN2O/c1-10-6-13(16)4-5-14(10)19-15-7-11(2)18-9-12(15)8-17-3/h4-7,9,17H,8H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371626
PNG
(CHEMBL402345)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
Show InChI InChI=1S/C18H21ClN2O3/c1-20-11-13-9-12(18(22)21(2)3)5-7-15(13)24-16-8-6-14(19)10-17(16)23-4/h5-10,20H,11H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377569
PNG
(CHEMBL260036)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H14Cl2N2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-8H,9H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377572
PNG
(CHEMBL402371)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C14H14BrClN2O/c1-9-5-14(10(7-17-2)8-18-9)19-13-4-3-11(16)6-12(13)15/h3-6,8,17H,7H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377585
PNG
(CHEMBL402000)
Show SMILES CCc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-9-14(17)5-6-15(12)20-16-7-8-18-10-13(16)11-19(2)3/h5-10H,4,11H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377578
PNG
(CHEMBL403080)
Show SMILES COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O2/c1-11-7-15(12(9-18-11)10-19(2)3)21-14-6-5-13(17)8-16(14)20-4/h5-9H,10H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188098
PNG
((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377584
PNG
(CHEMBL256511)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C14H15ClN2O/c1-10-7-12(15)3-4-13(10)18-14-5-6-17-9-11(14)8-16-2/h3-7,9,16H,8H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377580
PNG
(CHEMBL258449)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1OC
Show InChI InChI=1S/C14H15ClN2O2/c1-16-8-10-9-17-6-5-12(10)19-13-4-3-11(15)7-14(13)18-2/h3-7,9,16H,8H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50188098
PNG
((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377585
PNG
(CHEMBL402000)
Show SMILES CCc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-9-14(17)5-6-15(12)20-16-7-8-18-10-13(16)11-19(2)3/h5-10H,4,11H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377571
PNG
(CHEMBL260038)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(C)cc1OC
Show InChI InChI=1S/C16H20N2O2/c1-11-5-6-14(16(7-11)19-4)20-15-8-12(2)18-10-13(15)9-17-3/h5-8,10,17H,9H2,1-4H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375715
PNG
(CHEMBL256293)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H21ClN2O/c1-5-13-9-15(18)6-7-16(13)21-17-8-12(2)19-10-14(17)11-20(3)4/h6-10H,5,11H2,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375708
PNG
(CHEMBL403251)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-8-14(17)5-6-15(12)20-16-7-11(2)19-10-13(16)9-18-3/h5-8,10,18H,4,9H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375708
PNG
(CHEMBL403251)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-8-14(17)5-6-15(12)20-16-7-11(2)19-10-13(16)9-18-3/h5-8,10,18H,4,9H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377583
PNG
(CHEMBL256135)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C13H12BrClN2O/c1-16-7-9-8-17-5-4-12(9)18-13-3-2-10(15)6-11(13)14/h2-6,8,16H,7H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377581
PNG
(CHEMBL260037)
Show SMILES CCOc1cc(Cl)ccc1Oc1ccncc1CNC
Show InChI InChI=1S/C15H17ClN2O2/c1-3-19-15-8-12(16)4-5-14(15)20-13-6-7-18-10-11(13)9-17-2/h4-8,10,17H,3,9H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377569
PNG
(CHEMBL260036)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H14Cl2N2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-8H,9H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377574
PNG
(CHEMBL256970)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C16H19ClN2O/c1-11-7-14(17)5-6-15(11)20-16-8-12(2)18-9-13(16)10-19(3)4/h5-9H,10H2,1-4H3
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377578
PNG
(CHEMBL403080)
Show SMILES COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O2/c1-11-7-15(12(9-18-11)10-19(2)3)21-14-6-5-13(17)8-16(14)20-4/h5-9H,10H2,1-4H3
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377573
PNG
(CHEMBL256136)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C14H14BrClN2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(16)7-12(14)15/h3-8H,9H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375715
PNG
(CHEMBL256293)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H21ClN2O/c1-5-13-9-15(18)6-7-16(13)21-17-8-12(2)19-10-14(17)11-20(3)4/h6-10H,5,11H2,1-4H3
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50371626
PNG
(CHEMBL402345)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
Show InChI InChI=1S/C18H21ClN2O3/c1-20-11-13-9-12(18(22)21(2)3)5-7-15(13)24-16-8-6-14(19)10-17(16)23-4/h5-10,20H,11H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377576
PNG
(CHEMBL401596)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-13(16)4-5-14(11)19-15-6-7-17-9-12(15)10-18(2)3/h4-9H,10H2,1-3H3
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377572
PNG
(CHEMBL402371)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C14H14BrClN2O/c1-9-5-14(10(7-17-2)8-18-9)19-13-4-3-11(16)6-12(13)15/h3-6,8,17H,7H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377570
PNG
(CHEMBL259136)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H12Cl2N2O/c1-16-7-9-8-17-5-4-12(9)18-13-3-2-10(14)6-11(13)15/h2-6,8,16H,7H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377577
PNG
(CHEMBL257592)
Show SMILES CCc1cc(Cl)ccc1Oc1ccncc1CNC
Show InChI InChI=1S/C15H17ClN2O/c1-3-11-8-13(16)4-5-14(11)19-15-6-7-18-10-12(15)9-17-2/h4-8,10,17H,3,9H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377586
PNG
(CHEMBL257593)
Show SMILES COc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C15H17ClN2O2/c1-18(2)10-11-9-17-7-6-13(11)20-14-5-4-12(16)8-15(14)19-3/h4-9H,10H2,1-3H3
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n/an/a 47n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377575
PNG
(CHEMBL256137)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C15H17ClN2O/c1-10-6-13(16)4-5-14(10)19-15-7-11(2)18-9-12(15)8-17-3/h4-7,9,17H,8H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377579
PNG
(CHEMBL403078)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(Cl)cc1OC
Show InChI InChI=1S/C15H17ClN2O2/c1-10-6-14(11(8-17-2)9-18-10)20-13-5-4-12(16)7-15(13)19-3/h4-7,9,17H,8H2,1-3H3
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377583
PNG
(CHEMBL256135)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C13H12BrClN2O/c1-16-7-9-8-17-5-4-12(9)18-13-3-2-10(15)6-11(13)14/h2-6,8,16H,7H2,1H3
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377577
PNG
(CHEMBL257592)
Show SMILES CCc1cc(Cl)ccc1Oc1ccncc1CNC
Show InChI InChI=1S/C15H17ClN2O/c1-3-11-8-13(16)4-5-14(11)19-15-6-7-18-10-12(15)9-17-2/h4-8,10,17H,3,9H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377570
PNG
(CHEMBL259136)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H12Cl2N2O/c1-16-7-9-8-17-5-4-12(9)18-13-3-2-10(14)6-11(13)15/h2-6,8,16H,7H2,1H3
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n/an/a 159n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50377582
PNG
(CHEMBL260039)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(F)cc1C
Show InChI InChI=1S/C15H17FN2O/c1-10-6-13(16)4-5-14(10)19-15-7-11(2)18-9-12(15)8-17-3/h4-7,9,17H,8H2,1-3H3
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n/an/a 231n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377584
PNG
(CHEMBL256511)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C14H15ClN2O/c1-10-7-12(15)3-4-13(10)18-14-5-6-17-9-11(14)8-16-2/h3-7,9,16H,8H2,1-2H3
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n/an/a 246n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377571
PNG
(CHEMBL260038)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(C)cc1OC
Show InChI InChI=1S/C16H20N2O2/c1-11-5-6-14(16(7-11)19-4)20-15-8-12(2)18-10-13(15)9-17-3/h5-8,10,17H,9H2,1-4H3
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n/an/a 257n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377580
PNG
(CHEMBL258449)
Show SMILES CNCc1cnccc1Oc1ccc(Cl)cc1OC
Show InChI InChI=1S/C14H15ClN2O2/c1-16-8-10-9-17-6-5-12(10)19-13-4-3-11(15)7-14(13)18-2/h3-7,9,16H,8H2,1-2H3
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n/an/a 282n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377581
PNG
(CHEMBL260037)
Show SMILES CCOc1cc(Cl)ccc1Oc1ccncc1CNC
Show InChI InChI=1S/C15H17ClN2O2/c1-3-19-15-8-12(16)4-5-14(15)20-13-6-7-18-10-11(13)9-17-2/h4-8,10,17H,3,9H2,1-2H3
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n/an/a 394n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50377582
PNG
(CHEMBL260039)
Show SMILES CNCc1cnc(C)cc1Oc1ccc(F)cc1C
Show InChI InChI=1S/C15H17FN2O/c1-10-6-13(16)4-5-14(10)19-15-7-11(2)18-9-12(15)8-17-3/h4-7,9,17H,8H2,1-3H3
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n/an/a>400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377574
PNG
(CHEMBL256970)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C16H19ClN2O/c1-11-7-14(17)5-6-15(11)20-16-8-12(2)18-9-13(16)10-19(3)4/h5-9H,10H2,1-4H3
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n/an/a 1.68E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377573
PNG
(CHEMBL256136)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C14H14BrClN2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(16)7-12(14)15/h3-8H,9H2,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377569
PNG
(CHEMBL260036)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H14Cl2N2O/c1-18(2)9-10-8-17-6-5-13(10)19-14-4-3-11(15)7-12(14)16/h3-8H,9H2,1-2H3
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n/an/a 2.43E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377576
PNG
(CHEMBL401596)
Show SMILES CN(C)Cc1cnccc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-13(16)4-5-14(11)19-15-6-7-17-9-12(15)10-18(2)3/h4-9H,10H2,1-3H3
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n/an/a 3.23E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50188098
PNG
((R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine...)
Show SMILES CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-2-23-20-11-7-6-10-18(20)16-19(17-8-4-3-5-9-17)22-14-12-21-13-15-22/h3-11,19,21H,2,12-16H2,1H3/t19-/m1/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50371626
PNG
(CHEMBL402345)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
Show InChI InChI=1S/C18H21ClN2O3/c1-20-11-13-9-12(18(22)21(2)3)5-7-15(13)24-16-8-6-14(19)10-17(16)23-4/h5-10,20H,11H2,1-4H3
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377578
PNG
(CHEMBL403080)
Show SMILES COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O2/c1-11-7-15(12(9-18-11)10-19(2)3)21-14-6-5-13(17)8-16(14)20-4/h5-9H,10H2,1-4H3
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n/an/a 5.04E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50377578
PNG
(CHEMBL403080)
Show SMILES COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O2/c1-11-7-15(12(9-18-11)10-19(2)3)21-14-6-5-13(17)8-16(14)20-4/h5-9H,10H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50377578
PNG
(CHEMBL403080)
Show SMILES COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O2/c1-11-7-15(12(9-18-11)10-19(2)3)21-14-6-5-13(17)8-16(14)20-4/h5-9H,10H2,1-4H3
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MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50377574
PNG
(CHEMBL256970)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C16H19ClN2O/c1-11-7-14(17)5-6-15(11)20-16-8-12(2)18-9-13(16)10-19(3)4/h5-9H,10H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50377574
PNG
(CHEMBL256970)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C16H19ClN2O/c1-11-7-14(17)5-6-15(11)20-16-8-12(2)18-9-13(16)10-19(3)4/h5-9H,10H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377586
PNG
(CHEMBL257593)
Show SMILES COc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C15H17ClN2O2/c1-18(2)10-11-9-17-7-6-13(11)20-14-5-4-12(16)8-15(14)19-3/h4-9H,10H2,1-3H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375715
PNG
(CHEMBL256293)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H21ClN2O/c1-5-13-9-15(18)6-7-16(13)21-17-8-12(2)19-10-14(17)11-20(3)4/h6-10H,5,11H2,1-4H3
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n/an/a>3.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375708
PNG
(CHEMBL403251)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-8-14(17)5-6-15(12)20-16-7-11(2)19-10-13(16)9-18-3/h5-8,10,18H,4,9H2,1-3H3
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n/an/a 3.41E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50377585
PNG
(CHEMBL402000)
Show SMILES CCc1cc(Cl)ccc1Oc1ccncc1CN(C)C
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-9-14(17)5-6-15(12)20-16-7-8-18-10-13(16)11-19(2)3/h5-10H,4,11H2,1-3H3
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n/an/a>3.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.082
BindingDB Entry DOI: 10.7270/Q2ZG6T44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%