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PubMed code 25164761

Compile data set for download or QSAR
Found 41 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))
BDBM50098808
PNG
(CHEMBL3334776)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCOCC1)N1CCCC1
Show InChI InChI=1/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2
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n/an/a 69n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50386812
PNG
(AMITIFADINE HYDROCHLORIDE | DOV 21947 | DOV-21947 ...)
Show SMILES Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2
Show InChI InChI=1/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/s2
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n/an/a 71n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098901
PNG
(CHEMBL3334802)
Show SMILES CCN(CC)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H26Cl2N2/c1-3-20(4-2)12-9-17(21-10-5-6-11-21)14-7-8-15(18)16(19)13-14/h7-8,13,17H,3-6,9-12H2,1-2H3
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n/an/a 136n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098806
PNG
(CHEMBL3334769)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C27H32N2S/c1-2-8-22(9-3-1)20-23-12-17-28(18-13-23)19-14-26(29-15-6-7-16-29)25-21-30-27-11-5-4-10-24(25)27/h1-5,8-12,21,26H,6-7,13-20H2
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n/an/a 157n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386812
PNG
(AMITIFADINE HYDROCHLORIDE | DOV 21947 | DOV-21947 ...)
Show SMILES Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2
Show InChI InChI=1/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/s2
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n/an/a 159n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098896
PNG
(CHEMBL3334800)
Show SMILES CN(C)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3
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n/an/a 206n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098808
PNG
(CHEMBL3334776)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCOCC1)N1CCCC1
Show InChI InChI=1/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2
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n/an/a 238n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098893
PNG
(CHEMBL3334797)
Show SMILES CN(C)CCC(N1CCOCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3
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n/an/a 247n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098863
PNG
(CHEMBL3334796)
Show SMILES CN(C)CCC(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098899
PNG
(CHEMBL3334773)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCC(Cc2ccccc2)=CC1)N1CCCC1
Show InChI InChI=1/C25H30Cl2N2/c26-23-9-8-22(19-24(23)27)25(29-13-4-5-14-29)12-17-28-15-10-21(11-16-28)18-20-6-2-1-3-7-20/h1-3,6-10,19,25H,4-5,11-18H2
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n/an/a 291n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098806
PNG
(CHEMBL3334769)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C27H32N2S/c1-2-8-22(9-3-1)20-23-12-17-28(18-13-23)19-14-26(29-15-6-7-16-29)25-21-30-27-11-5-4-10-24(25)27/h1-5,8-12,21,26H,6-7,13-20H2
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n/an/a 325n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098900
PNG
(CHEMBL3334783)
Show SMILES CNCCC(N1CCOCC1)c1ccc(F)cc1F
Show InChI InChI=1/C14H20F2N2O/c1-17-5-4-14(18-6-8-19-9-7-18)12-3-2-11(15)10-13(12)16/h2-3,10,14,17H,4-9H2,1H3
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n/an/a 328n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098897
PNG
(CHEMBL3334801)
Show SMILES COc1ccc2cc(ccc2c1Cl)C(CCN(C)C)N1CCCC1
Show InChI InChI=1/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
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n/an/a 338n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098896
PNG
(CHEMBL3334800)
Show SMILES CN(C)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3
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n/an/a 357n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098901
PNG
(CHEMBL3334802)
Show SMILES CCN(CC)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H26Cl2N2/c1-3-20(4-2)12-9-17(21-10-5-6-11-21)14-7-8-15(18)16(19)13-14/h7-8,13,17H,3-6,9-12H2,1-2H3
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n/an/a 363n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098897
PNG
(CHEMBL3334801)
Show SMILES COc1ccc2cc(ccc2c1Cl)C(CCN(C)C)N1CCCC1
Show InChI InChI=1/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
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n/an/a 374n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098893
PNG
(CHEMBL3334797)
Show SMILES CN(C)CCC(N1CCOCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3
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n/an/a 379n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098808
PNG
(CHEMBL3334776)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCOCC1)N1CCCC1
Show InChI InChI=1/C17H24Cl2N2O/c18-15-4-3-14(13-16(15)19)17(21-6-1-2-7-21)5-8-20-9-11-22-12-10-20/h3-4,13,17H,1-2,5-12H2
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n/an/a 389n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098895
PNG
(CHEMBL3334799)
Show SMILES CN(C)CCC(N1CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3
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n/an/a 399n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098810
PNG
(CHEMBL3334794)
Show SMILES CN(C)CCC(N1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
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n/an/a 401n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50386812
PNG
(AMITIFADINE HYDROCHLORIDE | DOV 21947 | DOV-21947 ...)
Show SMILES Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2
Show InChI InChI=1/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/s2
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n/an/a 412n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098863
PNG
(CHEMBL3334796)
Show SMILES CN(C)CCC(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
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n/an/a 425n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098899
PNG
(CHEMBL3334773)
Show SMILES Clc1ccc(cc1Cl)C(CCN1CCC(Cc2ccccc2)=CC1)N1CCCC1
Show InChI InChI=1/C25H30Cl2N2/c26-23-9-8-22(19-24(23)27)25(29-13-4-5-14-29)12-17-28-15-10-21(11-16-28)18-20-6-2-1-3-7-20/h1-3,6-10,19,25H,4-5,11-18H2
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n/an/a 426n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098895
PNG
(CHEMBL3334799)
Show SMILES CN(C)CCC(N1CCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3
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n/an/a 428n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098809
PNG
(CHEMBL3334793)
Show SMILES CN(C)CCC(N1CCOCC1)c1cc2ccccc2s1
Show InChI InChI=1/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3
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n/an/a 449n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098893
PNG
(CHEMBL3334797)
Show SMILES CN(C)CCC(N1CCOCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3
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n/an/a 478n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098810
PNG
(CHEMBL3334794)
Show SMILES CN(C)CCC(N1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
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n/an/a 495n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098896
PNG
(CHEMBL3334800)
Show SMILES CN(C)CCC(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098894
PNG
(CHEMBL3334798)
Show SMILES CN(C)CCC(N1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3
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n/an/a 546n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098894
PNG
(CHEMBL3334798)
Show SMILES CN(C)CCC(N1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3
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n/an/a 602n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098806
PNG
(CHEMBL3334769)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C27H32N2S/c1-2-8-22(9-3-1)20-23-12-17-28(18-13-23)19-14-26(29-15-6-7-16-29)25-21-30-27-11-5-4-10-24(25)27/h1-5,8-12,21,26H,6-7,13-20H2
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n/an/a 621n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098894
PNG
(CHEMBL3334798)
Show SMILES CN(C)CCC(N1CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H24Cl2N2/c1-19(2)11-8-16(20-9-4-3-5-10-20)13-6-7-14(17)15(18)12-13/h6-7,12,16H,3-5,8-11H2,1-2H3
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n/an/a 634n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098898
PNG
(CHEMBL3334772)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCNCC1)c1csc2ccccc12
Show InChI InChI=1/C27H33N3S/c1-2-6-22(7-3-1)20-23-10-15-29(16-11-23)17-12-26(30-18-13-28-14-19-30)25-21-31-27-9-5-4-8-24(25)27/h1-10,21,26,28H,11-20H2
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n/an/a 635n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098902
PNG
(CHEMBL3334771)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCOCC1)c1csc2ccccc12
Show InChI InChI=1/C27H32N2OS/c1-2-6-22(7-3-1)20-23-10-13-28(14-11-23)15-12-26(29-16-18-30-19-17-29)25-21-31-27-9-5-4-8-24(25)27/h1-10,21,26H,11-20H2
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n/an/a 852n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098810
PNG
(CHEMBL3334794)
Show SMILES CN(C)CCC(N1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
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n/an/a 863n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098807
PNG
(CHEMBL3334770)
Show SMILES C(CN1CCC(Cc2ccccc2)=CC1)C(N1CCCCC1)c1csc2ccccc12
Show InChI InChI=1/C28H34N2S/c1-3-9-23(10-4-1)21-24-13-18-29(19-14-24)20-15-27(30-16-7-2-8-17-30)26-22-31-28-12-6-5-11-25(26)28/h1,3-6,9-13,22,27H,2,7-8,14-21H2
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n/an/a 905n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098863
PNG
(CHEMBL3334796)
Show SMILES CN(C)CCC(N1CCCC1)c1csc2ccccc12
Show InChI InChI=1/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
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n/an/a 986n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50098811
PNG
(CHEMBL3334795)
Show SMILES CN(C)CCC(N1CCOCC1)c1csc2ccccc12
Show InChI InChI=1/C17H24N2OS/c1-18(2)8-7-16(19-9-11-20-12-10-19)15-13-21-17-6-4-3-5-14(15)17/h3-6,13,16H,7-12H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098809
PNG
(CHEMBL3334793)
Show SMILES CN(C)CCC(N1CCOCC1)c1cc2ccccc2s1
Show InChI InChI=1/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3
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n/an/a 1.46E+3n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50098811
PNG
(CHEMBL3334795)
Show SMILES CN(C)CCC(N1CCOCC1)c1csc2ccccc12
Show InChI InChI=1/C17H24N2OS/c1-18(2)8-7-16(19-9-11-20-12-10-19)15-13-21-17-6-4-3-5-14(15)17/h3-6,13,16H,7-12H2,1-2H3
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n/an/a 2.54E+3n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50098897
PNG
(CHEMBL3334801)
Show SMILES COc1ccc2cc(ccc2c1Cl)C(CCN(C)C)N1CCCC1
Show InChI InChI=1/C20H27ClN2O/c1-22(2)13-10-18(23-11-4-5-12-23)16-6-8-17-15(14-16)7-9-19(24-3)20(17)21/h6-9,14,18H,4-5,10-13H2,1-3H3
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n/an/a 8.19E+3n/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

Curated by ChEMBL


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


Eur J Med Chem 86: 219-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.045
BindingDB Entry DOI: 10.7270/Q2RX9DTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%