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PubMed code 21916421

Compile data set for download or QSAR
Found 68 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 noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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PubMed
2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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22.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50319583
PNG
((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353940
PNG
(CHEMBL1828653)
Show SMILES Fc1cccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c12
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-17-7-3-5-15(20)18(17)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353928
PNG
(CHEMBL1830879)
Show SMILES O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353935
PNG
(CHEMBL1830885)
Show SMILES Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353926
PNG
(CHEMBL1830877)
Show SMILES O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353942
PNG
(CHEMBL1830892)
Show SMILES Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-18-15(20)5-3-7-17(18)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353943
PNG
(CHEMBL1830890)
Show SMILES Fc1ccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c2c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)22(9-7-14-12-21-8-10-26-14)27(24,25)23(17)16-4-2-1-3-15(16)20/h1-6,11,14,21H,7-10,12H2
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50319583
PNG
((2R)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353927
PNG
(CHEMBL1830878)
Show SMILES O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353928
PNG
(CHEMBL1830879)
Show SMILES O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353942
PNG
(CHEMBL1830892)
Show SMILES Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-18-15(20)5-3-7-17(18)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353927
PNG
(CHEMBL1830878)
Show SMILES O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353932
PNG
(CHEMBL1830876)
Show SMILES CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353943
PNG
(CHEMBL1830890)
Show SMILES Fc1ccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c2c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)22(9-7-14-12-21-8-10-26-14)27(24,25)23(17)16-4-2-1-3-15(16)20/h1-6,11,14,21H,7-10,12H2
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353935
PNG
(CHEMBL1830885)
Show SMILES Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353926
PNG
(CHEMBL1830877)
Show SMILES O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353940
PNG
(CHEMBL1828653)
Show SMILES Fc1cccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c12
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-17-7-3-5-15(20)18(17)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353932
PNG
(CHEMBL1830876)
Show SMILES CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353933
PNG
(CHEMBL1830884)
Show SMILES O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353933
PNG
(CHEMBL1830884)
Show SMILES O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
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n/an/a 54n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353929
PNG
(CHEMBL1830881)
Show SMILES O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353939
PNG
(CHEMBL1830889)
Show SMILES Fc1cc(F)c(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H18F3N3O3S/c19-12-9-14(20)18(15(21)10-12)24-17-4-2-1-3-16(17)23(28(24,25)26)7-5-13-11-22-6-8-27-13/h1-4,9-10,13,22H,5-8,11H2/t13-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353936
PNG
(CHEMBL1830886)
Show SMILES COc1cccc(c1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C19H23N3O4S/c1-25-16-6-4-5-15(13-16)22-19-8-3-2-7-18(19)21(27(22,23)24)11-9-17-14-20-10-12-26-17/h2-8,13,17,20H,9-12,14H2,1H3/t17-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353939
PNG
(CHEMBL1830889)
Show SMILES Fc1cc(F)c(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H18F3N3O3S/c19-12-9-14(20)18(15(21)10-12)24-17-4-2-1-3-16(17)23(28(24,25)26)7-5-13-11-22-6-8-27-13/h1-4,9-10,13,22H,5-8,11H2/t13-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353936
PNG
(CHEMBL1830886)
Show SMILES COc1cccc(c1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C19H23N3O4S/c1-25-16-6-4-5-15(13-16)22-19-8-3-2-7-18(19)21(27(22,23)24)11-9-17-14-20-10-12-26-17/h2-8,13,17,20H,9-12,14H2,1H3/t17-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353931
PNG
(CHEMBL1830875)
Show SMILES CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353941
PNG
(CHEMBL1830891)
Show SMILES Fc1ccc2N(CCC3CNCCO3)S(=O)(=O)N(c2c1)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)23(16-4-2-1-3-15(16)20)27(24,25)22(17)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353938
PNG
(CHEMBL1830888)
Show SMILES Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1
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n/an/a 143n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353929
PNG
(CHEMBL1830881)
Show SMILES O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m1/s1
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n/an/a 147n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353931
PNG
(CHEMBL1830875)
Show SMILES CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353930
PNG
(CHEMBL1830882)
Show SMILES O=S1(=O)N(C[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m0/s1
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n/an/a 199n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353938
PNG
(CHEMBL1830888)
Show SMILES Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1
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n/an/a 199n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353929
PNG
(CHEMBL1830881)
Show SMILES O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m1/s1
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n/an/a 207n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353941
PNG
(CHEMBL1830891)
Show SMILES Fc1ccc2N(CCC3CNCCO3)S(=O)(=O)N(c2c1)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)23(16-4-2-1-3-15(16)20)27(24,25)22(17)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2
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n/an/a 209n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353937
PNG
(CHEMBL1830887)
Show SMILES Fc1ccc(cc1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-14-5-7-15(8-6-14)22-18-4-2-1-3-17(18)21(26(22,23)24)11-9-16-13-20-10-12-25-16/h1-8,16,20H,9-13H2/t16-/m1/s1
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n/an/a 211n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353937
PNG
(CHEMBL1830887)
Show SMILES Fc1ccc(cc1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-14-5-7-15(8-6-14)22-18-4-2-1-3-17(18)21(26(22,23)24)11-9-16-13-20-10-12-25-16/h1-8,16,20H,9-13H2/t16-/m1/s1
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n/an/a 283n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353929
PNG
(CHEMBL1830881)
Show SMILES O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m1/s1
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n/an/a 341n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353927
PNG
(CHEMBL1830878)
Show SMILES O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1
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n/an/a 479n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353928
PNG
(CHEMBL1830879)
Show SMILES O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m1/s1
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n/an/a 599n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353937
PNG
(CHEMBL1830887)
Show SMILES Fc1ccc(cc1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-14-5-7-15(8-6-14)22-18-4-2-1-3-17(18)21(26(22,23)24)11-9-16-13-20-10-12-25-16/h1-8,16,20H,9-13H2/t16-/m1/s1
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n/an/a 611n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353936
PNG
(CHEMBL1830886)
Show SMILES COc1cccc(c1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C19H23N3O4S/c1-25-16-6-4-5-15(13-16)22-19-8-3-2-7-18(19)21(27(22,23)24)11-9-17-14-20-10-12-26-17/h2-8,13,17,20H,9-12,14H2,1H3/t17-/m1/s1
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n/an/a 749n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353930
PNG
(CHEMBL1830882)
Show SMILES O=S1(=O)N(C[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m0/s1
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n/an/a 792n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353941
PNG
(CHEMBL1830891)
Show SMILES Fc1ccc2N(CCC3CNCCO3)S(=O)(=O)N(c2c1)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)23(16-4-2-1-3-15(16)20)27(24,25)22(17)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2
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n/an/a 806n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353926
PNG
(CHEMBL1830877)
Show SMILES O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2
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n/an/a 964n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353940
PNG
(CHEMBL1828653)
Show SMILES Fc1cccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c12
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-17-7-3-5-15(20)18(17)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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n/an/a 992n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353927
PNG
(CHEMBL1830878)
Show SMILES O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353931
PNG
(CHEMBL1830875)
Show SMILES CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353939
PNG
(CHEMBL1830889)
Show SMILES Fc1cc(F)c(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H18F3N3O3S/c19-12-9-14(20)18(15(21)10-12)24-17-4-2-1-3-16(17)23(28(24,25)26)7-5-13-11-22-6-8-27-13/h1-4,9-10,13,22H,5-8,11H2/t13-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353926
PNG
(CHEMBL1830877)
Show SMILES O=S1(=O)N(CCC2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353938
PNG
(CHEMBL1830888)
Show SMILES Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50353935
PNG
(CHEMBL1830885)
Show SMILES Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1
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n/an/a 2.19E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353934
PNG
(CHEMBL1830883)
Show SMILES CN1CCOC(CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1
Show InChI InChI=1S/C18H21N3O3S/c1-19-11-12-24-16(13-19)14-20-17-9-5-6-10-18(17)21(25(20,22)23)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353933
PNG
(CHEMBL1830884)
Show SMILES O=S1(=O)N(CCC2CCCNC2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C19H23N3O2S/c23-25(24)21(14-12-16-7-6-13-20-15-16)18-10-4-5-11-19(18)22(25)17-8-2-1-3-9-17/h1-5,8-11,16,20H,6-7,12-15H2
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n/an/a 2.98E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 3.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353938
PNG
(CHEMBL1830888)
Show SMILES Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50353934
PNG
(CHEMBL1830883)
Show SMILES CN1CCOC(CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1
Show InChI InChI=1S/C18H21N3O3S/c1-19-11-12-24-16(13-19)14-20-17-9-5-6-10-18(17)21(25(20,22)23)15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3
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n/an/a 4.31E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353932
PNG
(CHEMBL1830876)
Show SMILES CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m1/s1
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353942
PNG
(CHEMBL1830892)
Show SMILES Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-18-15(20)5-3-7-17(18)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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PubMed
n/an/a 5.79E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353935
PNG
(CHEMBL1830885)
Show SMILES Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show InChI InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1
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PubMed
n/an/a 6.41E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353928
PNG
(CHEMBL1830879)
Show SMILES O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m1/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 6.77E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50353943
PNG
(CHEMBL1830890)
Show SMILES Fc1ccc2N(c3ccccc3F)S(=O)(=O)N(CCC3CNCCO3)c2c1
Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-17-18(11-13)22(9-7-14-12-21-8-10-26-14)27(24,25)23(17)16-4-2-1-3-15(16)20/h1-6,11,14,21H,7-10,12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.35E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%