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Compile Data Set for Download or QSAR

Found 315 hits with Last Name = 'wojnicki' and Initial = 'fh'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50054728
PNG
(1,4-Bis-(3-phenyl-propyl)-piperazine | CHEMBL34640...)
Show SMILES C(CN1CCN(CCCc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H30N2/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
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n/an/a 0.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054754
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-[...)
Show SMILES C(CN1CCCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-4-12-26(13-5-1)14-10-19-30-20-11-21-31(23-22-30)24-25-32-29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-18,29H,11,19-25H2/b14-10+
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n/an/a 0.600n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054726
PNG
(CHEMBL423372 | [(S)-1-(2-Benzhydryloxy-ethyl)-pyrr...)
Show SMILES C(CNC[C@@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O/c1-4-12-25(13-5-1)14-10-20-30-24-28-19-11-21-31(28)22-23-32-29(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,12-13,15-18,28-30H,10-11,14,19-24H2/t28-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056569
PNG
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)34-18-17-32-13-15-33(16-14-32)20-26-19-23-3-1-2-4-27(23)31-26/h1-12,19,28,31H,13-18,20H2
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n/an/a 0.700n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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n/an/a 0.900n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054727
PNG
(1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C34H34F4N2O2/c35-29-9-1-25(2-10-29)33(26-3-11-30(36)12-4-26)41-23-21-39-17-19-40(20-18-39)22-24-42-34(27-5-13-31(37)14-6-27)28-7-15-32(38)16-8-28/h1-16,33-34H,17-24H2
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n/an/a 1.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was tested for binding against Dopamine transporter using radioligand as [3H]-RTI 55


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056560
PNG
(2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]...)
Show SMILES C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c1-3-9-23(10-4-1)28(24-11-5-2-6-12-24)32-20-19-30-15-17-31(18-16-30)22-26-21-25-13-7-8-14-27(25)29-26/h1-14,21,28-29H,15-20,22H2
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054742
PNG
(1,4-Bis-(2-benzhydryloxy-ethyl)-piperazine | CHEMB...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)37-27-25-35-21-23-36(24-22-35)26-28-38-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2
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n/an/a 1.60n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was tested for binding against Dopamine transporter using radioligand as [3H]-RTI 55


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 1.80n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]-dopamine in nonstandard conditions on brain membranes ob...


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]-dopamine in nonstandard conditions on brain membranes ob...


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056556
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h1-12,19,26H,13-18,20H2/b3-1+
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056569
PNG
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)34-18-17-32-13-15-33(16-14-32)20-26-19-23-3-1-2-4-27(23)31-26/h1-12,19,28,31H,13-18,20H2
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n/an/a 1.90n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]-dopamine in nonstandard conditions on brain membranes ob...


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056566
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h1-12,20,26H,13-19H2/b3-1+
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056560
PNG
(2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]...)
Show SMILES C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c1-3-9-23(10-4-1)28(24-11-5-2-6-12-24)32-20-19-30-15-17-31(18-16-30)22-26-21-25-13-7-8-14-27(25)29-26/h1-14,21,28-29H,15-20,22H2
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056576
PNG
(2-[3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N4O/c30-24-11-7-22(8-12-24)29(23-9-13-25(31)14-10-23)36-21-20-35-18-16-34(17-19-35)15-3-6-28-32-26-4-1-2-5-27(26)33-28/h1-2,4-5,7-14,29H,3,6,15-21H2,(H,32,33)
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054723
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-4,6-16,29H,5,17-23H2/b8-4+
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056560
PNG
(2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]...)
Show SMILES C(CN1CCN(Cc2cc3ccccc3[nH]2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c1-3-9-23(10-4-1)28(24-11-5-2-6-12-24)32-20-19-30-15-17-31(18-16-30)22-26-21-25-13-7-8-14-27(25)29-26/h1-14,21,28-29H,15-20,22H2
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]-dopamine in nonstandard conditions on brain membranes ob...


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056569
PNG
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)34-18-17-32-13-15-33(16-14-32)20-26-19-23-3-1-2-4-27(23)31-26/h1-12,19,28,31H,13-18,20H2
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n/an/a 2.90n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056567
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-t...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccs2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h2,4-12,20,26H,1,3,13-19H2
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n/an/a 3.30n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054731
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2
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n/an/a 3.40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054723
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-4,6-16,29H,5,17-23H2/b8-4+
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n/an/a 3.40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 3.70n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 3.70n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 3.70n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 3.70n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056568
PNG
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2OS/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2
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n/an/a 4.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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n/an/a 4.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 4.30n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054731
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2
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n/an/a 4.40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056557
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-furan-2-yl-ally...)
Show SMILES C(CN1CCN(C\C=C\c2ccco2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H30N2O2/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)30-22-20-28-18-16-27(17-19-28)15-7-13-25-14-8-21-29-25/h1-14,21,26H,15-20,22H2/b13-7+
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n/an/a 5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054726
PNG
(CHEMBL423372 | [(S)-1-(2-Benzhydryloxy-ethyl)-pyrr...)
Show SMILES C(CNC[C@@H]1CCCN1CCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O/c1-4-12-25(13-5-1)14-10-20-30-24-28-19-11-21-31(28)22-23-32-29(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,12-13,15-18,28-30H,10-11,14,19-24H2/t28-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056554
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-thiophen-2-yl-propy...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccs1
Show InChI InChI=1S/C26H32N2OS/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)29-21-20-28-18-16-27(17-19-28)15-7-13-25-14-8-22-30-25/h1-6,8-12,14,22,26H,7,13,15-21H2
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n/an/a 5.20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 5.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056553
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-f...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccco2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h2,4-12,19,26H,1,3,13-18,20H2
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n/an/a 5.90n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056567
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-t...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2cccs2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h2,4-12,20,26H,1,3,13-19H2
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n/an/a 6.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056573
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-thiophen-2-yl-a...)
Show SMILES C(CN1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H30N2OS/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)29-21-20-28-18-16-27(17-19-28)15-7-13-25-14-8-22-30-25/h1-14,22,26H,15-21H2/b13-7+
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n/an/a 6.40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056551
PNG
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H28F2N2O2/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2
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n/an/a 6.40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056562
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-furan-2-yl-propyl)-...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccco1
Show InChI InChI=1S/C26H32N2O2/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)30-22-20-28-18-16-27(17-19-28)15-7-13-25-14-8-21-29-25/h1-6,8-12,14,21,26H,7,13,15-20,22H2
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n/an/a 6.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054750
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O/c1-4-12-26(13-5-1)14-10-19-30-20-11-21-31(23-22-30)24-25-32-29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
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n/an/a 7.20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056556
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h1-12,19,26H,13-18,20H2/b3-1+
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n/an/a 7.20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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n/an/a 7.30n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054727
PNG
(1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C34H34F4N2O2/c35-29-9-1-25(2-10-29)33(26-3-11-30(36)12-4-26)41-23-21-39-17-19-40(20-18-39)22-24-42-34(27-5-13-31(37)14-6-27)28-7-15-32(38)16-8-28/h1-16,33-34H,17-24H2
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n/an/a 7.30n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056570
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(2-n...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCc2cccc3ccccc23)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C31H32F2N2O/c32-28-12-8-26(9-13-28)31(27-10-14-29(33)15-11-27)36-23-22-35-20-18-34(19-21-35)17-16-25-6-3-5-24-4-1-2-7-30(24)25/h1-15,31H,16-23H2
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n/an/a 7.80n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054750
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O/c1-4-12-26(13-5-1)14-10-19-30-20-11-21-31(23-22-30)24-25-32-29(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,29H,10-11,14,19-25H2
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n/an/a 7.90n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056553
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-f...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccco2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h2,4-12,19,26H,1,3,13-18,20H2
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n/an/a 7.90n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056571
PNG
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2
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n/an/a 8n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056576
PNG
(2-[3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N4O/c30-24-11-7-22(8-12-24)29(23-9-13-25(31)14-10-23)36-21-20-35-18-16-34(17-19-35)15-3-6-28-32-26-4-1-2-5-27(26)33-28/h1-2,4-5,7-14,29H,3,6,15-21H2,(H,32,33)
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n/an/a 8.10n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056562
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-furan-2-yl-propyl)-...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccco1
Show InChI InChI=1S/C26H32N2O2/c1-3-9-23(10-4-1)26(24-11-5-2-6-12-24)30-22-20-28-18-16-27(17-19-28)15-7-13-25-14-8-21-29-25/h1-6,8-12,14,21,26H,7,13,15-20,22H2
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n/an/a 8.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
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