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PubMed code 25050161

Compile data set for download or QSAR
Found 112 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))
BDBM50054539
PNG
(CHEMBL3323088)
Show SMILES CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1
Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50062912
PNG
(CHEMBL796 | Methylphenidate | alpha-phenyl-2-piper...)
Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
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34n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054539
PNG
(CHEMBL3323088)
Show SMILES CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1
Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3
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36n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054539
PNG
(CHEMBL3323088)
Show SMILES CN1CC(c2ccc(F)cc2)c2ccc(C)cc2C1
Show InChI InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3
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230n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50062912
PNG
(CHEMBL796 | Methylphenidate | alpha-phenyl-2-piper...)
Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
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340n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50062912
PNG
(CHEMBL796 | Methylphenidate | alpha-phenyl-2-piper...)
Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a<1n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054533
PNG
(CHEMBL3323173)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
Show InChI InChI=1S/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054529
PNG
(CHEMBL3323178)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(CN)cc2C1
Show InChI InChI=1S/C19H20N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,10-12,20H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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n/an/a<3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054522
PNG
(CHEMBL3323181)
Show SMILES CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3/t21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054522
PNG
(CHEMBL3323181)
Show SMILES CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3/t21-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM60507
PNG
(BDBM50054521 | US9085531, 75)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-17-12-18(24-8-10-25-11-9-24)6-7-19(17)20(15-23)22-13-16-4-2-3-5-21(16)26-22/h2-7,12-13,20H,8-11,14-15H2,1H3
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n/an/a 4.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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n/an/a 4.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054528
PNG
(CHEMBL3323183)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-12-19(24-7-9-25-10-8-24)4-5-20(18)21(15-23)17-3-2-16-6-11-26-22(16)13-17/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054535
PNG
(CHEMBL3323096)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170453
PNG
(US9085531, 100)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 4.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054533
PNG
(CHEMBL3323173)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
Show InChI InChI=1S/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054532
PNG
(CHEMBL3323174)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C19H19NOS/c1-20-11-15-10-16(21-2)4-5-17(15)18(12-20)13-3-6-19-14(9-13)7-8-22-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 5.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170445
PNG
(US9085531, 17)
Show SMILES CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 5.20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054532
PNG
(CHEMBL3323174)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C19H19NOS/c1-20-11-15-10-16(21-2)4-5-17(15)18(12-20)13-3-6-19-14(9-13)7-8-22-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
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n/an/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054530
PNG
(CHEMBL3323175)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
Show InChI InChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 5.70n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60507
PNG
(BDBM50054521 | US9085531, 75)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-17-12-18(24-8-10-25-11-9-24)6-7-19(17)20(15-23)22-13-16-4-2-3-5-21(16)26-22/h2-7,12-13,20H,8-11,14-15H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
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n/an/a 6n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170456
PNG
(US9085531, 119)
Show SMILES CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)14-7-6-13-8-9-19-18(13)10-14/h2-10,17,19H,11-12H2,1H3
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n/an/a 6.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054515
PNG
(CHEMBL3323106)
Show SMILES CN1CC(c2ccc3ncsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-9-13-4-2-3-5-14(13)15(10-19)12-6-7-16-17(8-12)20-11-18-16/h2-8,11,15H,9-10H2,1H3
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n/an/a 6.80n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054530
PNG
(CHEMBL3323175)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
Show InChI InChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
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n/an/a 6.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054526
PNG
(CHEMBL3323109)
Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1
Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3
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n/an/a 6.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170445
PNG
(US9085531, 17)
Show SMILES CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054520
PNG
(CHEMBL3323100)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccsc12
Show InChI InChI=1S/C18H17NS/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a 7.80n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054522
PNG
(CHEMBL3323181)
Show SMILES CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3/t21-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054524
PNG
(CHEMBL3323176)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
Show InChI InChI=1S/C18H16FNS/c1-20-10-14-9-15(19)3-4-16(14)17(11-20)12-2-5-18-13(8-12)6-7-21-18/h2-9,17H,10-11H2,1H3
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n/an/a 8.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170456
PNG
(US9085531, 119)
Show SMILES CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)14-7-6-13-8-9-19-18(13)10-14/h2-10,17,19H,11-12H2,1H3
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n/an/a 8.80n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054532
PNG
(CHEMBL3323174)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C19H19NOS/c1-20-11-15-10-16(21-2)4-5-17(15)18(12-20)13-3-6-19-14(9-13)7-8-22-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054535
PNG
(CHEMBL3323096)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054530
PNG
(CHEMBL3323175)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
Show InChI InChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
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n/an/a 10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054529
PNG
(CHEMBL3323178)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(CN)cc2C1
Show InChI InChI=1S/C19H20N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,10-12,20H2,1H3
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n/an/a 11n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170457
PNG
(US9085531, 122)
Show SMILES CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 11n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170456
PNG
(US9085531, 119)
Show SMILES CN1CC(c2ccc3cc[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)14-7-6-13-8-9-19-18(13)10-14/h2-10,17,19H,11-12H2,1H3
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n/an/a 12n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054533
PNG
(CHEMBL3323173)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
Show InChI InChI=1S/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170458
PNG
(US9085531, 129)
Show SMILES CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 13n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054537
PNG
(CHEMBL3323092)
Show SMILES CN1CC(c2coc3ccccc23)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-10-13-6-2-3-7-14(13)16(11-19)17-12-20-18-9-5-4-8-15(17)18/h2-9,12,16H,10-11H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a 16n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60507
PNG
(BDBM50054521 | US9085531, 75)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-17-12-18(24-8-10-25-11-9-24)6-7-19(17)20(15-23)22-13-16-4-2-3-5-21(16)26-22/h2-7,12-13,20H,8-11,14-15H2,1H3
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n/an/a 16n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054523
PNG
(CHEMBL3323177)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)C#N
Show InChI InChI=1S/C19H16N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,11-12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60512
PNG
(BDBM50054516 | US9085531, 134)
Show SMILES CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-10-14-4-2-3-5-15(14)16(11-19)12-6-7-13-9-18-20-17(13)8-12/h2-9,16H,10-11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054536
PNG
(CHEMBL3323093)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2occc12
Show InChI InChI=1S/C18H17NO/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 22n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054518
PNG
(CHEMBL3323108)
Show SMILES CN1CC(c2ccc3ccnn3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3
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n/an/a 22n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054528
PNG
(CHEMBL3323183)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-12-19(24-7-9-25-10-8-24)4-5-20(18)21(15-23)17-3-2-16-6-11-26-22(16)13-17/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 23n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170457
PNG
(US9085531, 122)
Show SMILES CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 23n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 24n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054529
PNG
(CHEMBL3323178)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(CN)cc2C1
Show InChI InChI=1S/C19H20N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,10-12,20H2,1H3
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n/an/a 28n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054536
PNG
(CHEMBL3323093)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2occc12
Show InChI InChI=1S/C18H17NO/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 29n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170458
PNG
(US9085531, 129)
Show SMILES CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 31n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1S/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a 31n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054515
PNG
(CHEMBL3323106)
Show SMILES CN1CC(c2ccc3ncsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-9-13-4-2-3-5-14(13)15(10-19)12-6-7-16-17(8-12)20-11-18-16/h2-8,11,15H,9-10H2,1H3
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n/an/a 32n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170439
PNG
(US9085531, 21)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a 35n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170439
PNG
(US9085531, 21)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a 38n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM60508
PNG
(BDBM50054527 | US9085531, 76)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
Show InChI InChI=1S/C23H26N2S/c1-24-15-18-13-19(25-11-5-2-6-12-25)9-10-20(18)21(16-24)23-14-17-7-3-4-8-22(17)26-23/h3-4,7-10,13-14,21H,2,5-6,11-12,15-16H2,1H3
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n/an/a 38n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054535
PNG
(CHEMBL3323096)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054524
PNG
(CHEMBL3323176)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
Show InChI InChI=1S/C18H16FNS/c1-20-10-14-9-15(19)3-4-16(14)17(11-20)12-2-5-18-13(8-12)6-7-21-18/h2-9,17H,10-11H2,1H3
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n/an/a 41n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054536
PNG
(CHEMBL3323093)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2occc12
Show InChI InChI=1S/C18H17NO/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 43n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054518
PNG
(CHEMBL3323108)
Show SMILES CN1CC(c2ccc3ccnn3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3
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n/an/a 44n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054537
PNG
(CHEMBL3323092)
Show SMILES CN1CC(c2coc3ccccc23)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-10-13-6-2-3-7-14(13)16(11-19)17-12-20-18-9-5-4-8-15(17)18/h2-9,12,16H,10-11H2,1H3
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n/an/a 51n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60502
PNG
(BDBM50054534 | US9085531, 44)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2sccc12
Show InChI InChI=1S/C18H17NS/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 52n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054515
PNG
(CHEMBL3323106)
Show SMILES CN1CC(c2ccc3ncsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-9-13-4-2-3-5-14(13)15(10-19)12-6-7-16-17(8-12)20-11-18-16/h2-8,11,15H,9-10H2,1H3
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n/an/a 53n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054524
PNG
(CHEMBL3323176)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(F)cc2C1
Show InChI InChI=1S/C18H16FNS/c1-20-10-14-9-15(19)3-4-16(14)17(11-20)12-2-5-18-13(8-12)6-7-21-18/h2-9,17H,10-11H2,1H3
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n/an/a 66n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054537
PNG
(CHEMBL3323092)
Show SMILES CN1CC(c2coc3ccccc23)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-10-13-6-2-3-7-14(13)16(11-19)17-12-20-18-9-5-4-8-15(17)18/h2-9,12,16H,10-11H2,1H3
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n/an/a 67n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054520
PNG
(CHEMBL3323100)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccsc12
Show InChI InChI=1S/C18H17NS/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a 68n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1S/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a 69n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 69n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60512
PNG
(BDBM50054516 | US9085531, 134)
Show SMILES CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-10-14-4-2-3-5-15(14)16(11-19)12-6-7-13-9-18-20-17(13)8-12/h2-9,16H,10-11H2,1H3
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n/an/a 78n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054528
PNG
(CHEMBL3323183)
Show SMILES CN1CC(c2ccc3ccsc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-12-19(24-7-9-25-10-8-24)4-5-20(18)21(15-23)17-3-2-16-6-11-26-22(16)13-17/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 88n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170453
PNG
(US9085531, 100)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 93n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM60512
PNG
(BDBM50054516 | US9085531, 134)
Show SMILES CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H16N2S/c1-19-10-14-4-2-3-5-15(14)16(11-19)12-6-7-13-9-18-20-17(13)8-12/h2-9,16H,10-11H2,1H3
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n/an/a 96n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a 110n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM60508
PNG
(BDBM50054527 | US9085531, 76)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
Show InChI InChI=1S/C23H26N2S/c1-24-15-18-13-19(25-11-5-2-6-12-25)9-10-20(18)21(16-24)23-14-17-7-3-4-8-22(17)26-23/h3-4,7-10,13-14,21H,2,5-6,11-12,15-16H2,1H3
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n/an/a 110n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054520
PNG
(CHEMBL3323100)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccsc12
Show InChI InChI=1S/C18H17NS/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a 110n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054523
PNG
(CHEMBL3323177)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)C#N
Show InChI InChI=1S/C19H16N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,11-12H2,1H3
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n/an/a 110n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054518
PNG
(CHEMBL3323108)
Show SMILES CN1CC(c2ccc3ccnn3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170439
PNG
(US9085531, 21)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM60502
PNG
(BDBM50054534 | US9085531, 44)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2sccc12
Show InChI InChI=1S/C18H17NS/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170453
PNG
(US9085531, 100)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3
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n/an/a 140n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
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n/an/a 170n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054523
PNG
(CHEMBL3323177)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)C#N
Show InChI InChI=1S/C19H16N2S/c1-21-11-16-8-13(10-20)2-4-17(16)18(12-21)14-3-5-19-15(9-14)6-7-22-19/h2-9,18H,11-12H2,1H3
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n/an/a 180n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 190n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60502
PNG
(BDBM50054534 | US9085531, 44)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2sccc12
Show InChI InChI=1S/C18H17NS/c1-19-11-13-5-2-3-6-14(13)17(12-19)15-7-4-8-18-16(15)9-10-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170445
PNG
(US9085531, 17)
Show SMILES CN1CC(c2ccc3ccoc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)14-7-6-13-8-9-20-18(13)10-14/h2-10,17H,11-12H2,1H3
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n/an/a 250n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM170457
PNG
(US9085531, 122)
Show SMILES CN1CC(c2ccc3[nH]ncc3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 260n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170458
PNG
(US9085531, 129)
Show SMILES CN1CC(c2ccc3cn[nH]c3c2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-20-10-14-4-2-3-5-15(14)16(11-20)12-6-7-13-9-18-19-17(13)8-12/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 270n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1S/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
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n/an/a>300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 350n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM60508
PNG
(BDBM50054527 | US9085531, 76)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
Show InChI InChI=1S/C23H26N2S/c1-24-15-18-13-19(25-11-5-2-6-12-25)9-10-20(18)21(16-24)23-14-17-7-3-4-8-22(17)26-23/h3-4,7-10,13-14,21H,2,5-6,11-12,15-16H2,1H3
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n/an/a 570n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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n/an/a 800n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054526
PNG
(CHEMBL3323109)
Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1
Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3
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n/an/a 890n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054526
PNG
(CHEMBL3323109)
Show SMILES CN1CC(c2ccc3ncccc3c2)c2ccccc2C1
Show InChI InChI=1S/C19H18N2/c1-21-12-16-5-2-3-7-17(16)18(13-21)14-8-9-19-15(11-14)6-4-10-20-19/h2-11,18H,12-13H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50054519
PNG
(CHEMBL3323187)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
Show InChI InChI=1S/C20H22N2OS/c1-22-12-16-11-17(21-7-8-23)3-4-18(16)19(13-22)14-2-5-20-15(10-14)6-9-24-20/h2-6,9-11,19,21,23H,7-8,12-13H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50054533
PNG
(CHEMBL3323173)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
Show InChI InChI=1S/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50054532
PNG
(CHEMBL3323174)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1S/C19H19NOS/c1-20-11-15-10-16(21-2)4-5-17(15)18(12-20)13-3-6-19-14(9-13)7-8-22-19/h3-10,18H,11-12H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50054530
PNG
(CHEMBL3323175)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(O)cc2C1
Show InChI InChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50054522
PNG
(CHEMBL3323181)
Show SMILES CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3/t21-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50054519
PNG
(CHEMBL3323187)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
Show InChI InChI=1S/C20H22N2OS/c1-22-12-16-11-17(21-7-8-23)3-4-18(16)19(13-22)14-2-5-20-15(10-14)6-9-24-20/h2-6,9-11,19,21,23H,7-8,12-13H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50054519
PNG
(CHEMBL3323187)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
Show InChI InChI=1S/C20H22N2OS/c1-22-12-16-11-17(21-7-8-23)3-4-18(16)19(13-22)14-2-5-20-15(10-14)6-9-24-20/h2-6,9-11,19,21,23H,7-8,12-13H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50054519
PNG
(CHEMBL3323187)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(NCCO)cc2C1
Show InChI InChI=1S/C20H22N2OS/c1-22-12-16-11-17(21-7-8-23)3-4-18(16)19(13-22)14-2-5-20-15(10-14)6-9-24-20/h2-6,9-11,19,21,23H,7-8,12-13H2,1H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50054522
PNG
(CHEMBL3323181)
Show SMILES CN1C[C@H](c2ccc3sccc3c2)c2ccc(cc2C1)N1CCOCC1
Show InChI InChI=1S/C22H24N2OS/c1-23-14-18-13-19(24-7-9-25-10-8-24)3-4-20(18)21(15-23)16-2-5-22-17(12-16)6-11-26-22/h2-6,11-13,21H,7-10,14-15H2,1H3/t21-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 5: 760-5 (2014)


Article DOI: 10.1021/ml500053b
BindingDB Entry DOI: 10.7270/Q2154JPR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%