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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'ili?' and Initial = 'm'   
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 dopamine transporter


(Homo sapiens (Human))		BDBM50519987
PNG
(CHEMBL4465494)
Show SMILES [O-][S@@+](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520001
PNG
(CHEMBL4473574)
Show SMILES [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250557
PNG
(CHEMBL4084700)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H16OS2/c19-21(14-17-12-7-13-20-17)18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250560
PNG
(CHEMBL4105412)
Show SMILES [O-][S@+](Cc1cccs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2/t18-,22-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520000
PNG
(CHEMBL4567505)
Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519996
PNG
(CHEMBL4593487)
Show SMILES [O-][S+](Cc1cscn1)C(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250542
PNG
(CHEMBL4064788)
Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C19H18OS2/c1-15-9-11-17(12-10-15)19(16-6-3-2-4-7-16)22(20)14-18-8-5-13-21-18/h2-13,19H,14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519985
PNG
(CHEMBL4522454)
Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519978
PNG
(CHEMBL4469951)
Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519986
PNG
(CHEMBL4552477)
Show SMILES [O-][S@@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22+/m1/s1
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n/an/a 2.99E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250552
PNG
(CHEMBL4067474)
Show SMILES [O-][S+](Cc1ccsc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H16OS2/c19-21(14-15-11-12-20-13-15)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,18H,14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520007
PNG
(CHEMBL4437004)
Show SMILES [O-][S+](Cc1csc(Cl)n1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H14ClNOS2/c18-17-19-15(11-21-17)12-22(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250547
PNG
(CHEMBL4077643)
Show SMILES Cc1nc(O)cc(C[S+]([O-])C(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C19H18N2O2S/c1-14-20-17(12-18(22)21-14)13-24(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3,(H,20,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519990
PNG
(CHEMBL4459152)
Show SMILES Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
Show InChI InChI=1S/C18H17NOS2/c1-14-19-17(12-21-14)13-22(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3
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n/an/a 3.25E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519965
PNG
(CHEMBL4552525)
Show SMILES Cc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
Show InChI InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519979
PNG
(CHEMBL4459947)
Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250558
PNG
(CHEMBL4074404)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519981
PNG
(CHEMBL4445285)
Show SMILES COc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250543
PNG
(CHEMBL4068156)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C18H14F2OS2/c19-15-7-3-13(4-8-15)18(14-5-9-16(20)10-6-14)23(21)12-17-2-1-11-22-17/h1-11,18H,12H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250559
PNG
(CHEMBL4101155)
Show SMILES [O-][S@@+](Cc1cccs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2/t18-,22-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519977
PNG
(CHEMBL4455184)
Show SMILES [O-][S@@+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519972
PNG
(CHEMBL4439598)
Show SMILES [O-][S+](Cc1csc(n1)C1CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19NOS2/c22-24(14-18-13-23-20(21-18)17-11-12-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519971
PNG
(CHEMBL4568351)
Show SMILES [O-][S+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2
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n/an/a 4.17E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250558
PNG
(CHEMBL4074404)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250558
PNG
(CHEMBL4074404)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H15BrOS2/c19-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)22(20)13-17-7-4-12-21-17/h1-12,18H,13H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520015
PNG
(CHEMBL4543324)
Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520013
PNG
(CHEMBL4456176)
Show SMILES [O-][S+](Cc1cncs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15NOS2/c19-21(12-16-11-18-13-20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2
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n/an/a 4.61E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519984
PNG
(CHEMBL4438894)
Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250553
PNG
(CHEMBL4078378)
Show SMILES [O-][S+](Cc1sccc1Cl)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H15ClOS2/c19-16-11-12-21-17(16)13-22(20)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519974
PNG
(CHEMBL4583781)
Show SMILES [O-][S+](Cc1cscn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-22-11-20-16/h1-9,11,17H,10H2
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n/an/a 5.04E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519989
PNG
(CHEMBL4473522)
Show SMILES [O-][S@@+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250565
PNG
(CHEMBL4065787)
Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cccs1)c1ccc(C)cc1
Show InChI InChI=1S/C20H20OS2/c1-15-5-9-17(10-6-15)20(18-11-7-16(2)8-12-18)23(21)14-19-4-3-13-22-19/h3-13,20H,14H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520004
PNG
(CHEMBL4453763)
Show SMILES Cc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
Show InChI InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520014
PNG
(CHEMBL4470394)
Show SMILES [O-][S+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2
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n/an/a 6.21E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50336892
PNG
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)
Show SMILES NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519991
PNG
(CHEMBL4576306)
Show SMILES [O-][S+](Cc1cscn1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H15NOS2/c19-21(12-16-11-20-13-18-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2
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n/an/a 6.66E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519994
PNG
(CHEMBL4441345)
Show SMILES [O-][S+](Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-22-11-20-16/h1-9,11,17H,10H2
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n/an/a 6.76E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519970
PNG
(CHEMBL4444833)
Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cncs1)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-20-13-22-18/h3-11,13,19H,12H2,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520012
PNG
(CHEMBL4569016)
Show SMILES [O-][S+](Cc1csc(n1)-c1cccs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2
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n/an/a 6.97E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250556
PNG
(CHEMBL4066469)
Show SMILES [O-][S+](Cc1cccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2OS2/c19-15-7-3-13(4-8-15)18(14-5-9-16(20)10-6-14)23(21)12-17-2-1-11-22-17/h1-11,18H,12H2
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520003
PNG
(CHEMBL4436791)
Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cscn1)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-22-13-20-18/h3-11,13,19H,12H2,1-2H3
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n/an/a 7.32E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520011
PNG
(CHEMBL4532133)
Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519980
PNG
(CHEMBL4464187)
Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519960
PNG
(CHEMBL4441307)
Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520018
PNG
(CHEMBL4453638)
Show SMILES [O-][S+](Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2
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n/an/a 9.58E+3n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50519961
PNG
(CHEMBL4568024)
Show SMILES COc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r|
Show InChI InChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23+/m1/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250540
PNG
(CHEMBL4104150)
Show SMILES [O-][S+](Cc1ccc(Cl)s1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H15ClOS2/c19-17-12-11-16(21-17)13-22(20)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50520006
PNG
(CHEMBL4470744)
Show SMILES CCCCc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
Show InChI InChI=1S/C21H23NOS2/c1-2-3-14-20-22-19(15-24-20)16-25(23)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,21H,2-3,14,16H2,1H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ...

J Med Chem 63: 391-417 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01938
BindingDB Entry DOI: 10.7270/Q28W3HPC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50250541
PNG
(CHEMBL4075022)
Show SMILES [O-][S+](Cc1cc(Br)cs1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H15BrOS2/c19-16-11-17(21-12-16)13-22(20)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured a...

J Med Chem 60: 9330-9348 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01313
BindingDB Entry DOI: 10.7270/Q26112RW
More data for this
Ligand-Target Pair
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