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PubMed code 8941383

Compile data set for download or QSAR
Found 146 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
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))		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))		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))		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 2.60n/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))		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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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
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 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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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))		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))		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))		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))		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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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))		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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054729
PNG
((2S,5R)-2,5-Dimethyl-1,4-bis-(3-phenyl-propyl)-pip...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C24H34N2/c1-21-19-26(18-10-16-24-13-7-4-8-14-24)22(2)20-25(21)17-9-15-23-11-5-3-6-12-23/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3/t21-,22+
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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
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054732
PNG
((2S,5R)-2,5-Dimethyl-1-(3-phenyl-propyl)-piperazin...)
Show SMILES C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C15H24N2/c1-13-12-17(14(2)11-16-13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3/t13-,14+/m1/s1
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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
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054753
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,25-26,30H,12,15,20-24H2,1-2H3/t25-,26+/m1/s1
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n/an/a 8.60n/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 8.60n/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))		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 9.30n/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))		BDBM50054745
PNG
(CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...)
Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 9.30n/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))		BDBM50054753
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,25-26,30H,12,15,20-24H2,1-2H3/t25-,26+/m1/s1
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n/an/a 9.60n/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))		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 12n/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))		BDBM50054741
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H36F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-5,7-8,10-17,23-24,30H,6,9,18-22H2,1-2H3/t23-,24+/m1/s1
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n/an/a 15n/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))		BDBM50054749
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2
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n/an/a 17n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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 17n/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))		BDBM50054735
PNG
(CHEMBL142041 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-29(20-12-15-25-13-6-3-7-14-25)21-22-30(2)23-24-31-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28H,12,15,20-24H2,1-2H3
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n/an/a 18n/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))		BDBM50054745
PNG
(CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...)
Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 20n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054733
PNG
(1-((E)-3-Phenyl-propenyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(\C=C\N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C14H20N2/c1-2-6-14(7-3-1)8-4-11-16-12-5-9-15-10-13-16/h1-4,6-7,11,15H,5,8-10,12-13H2/b11-4+
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n/an/a 20n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054746
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-19,25-26,30H,20-24H2,1-2H3/b15-12+/t25-,26+/m1/s1
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n/an/a 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))		BDBM50054753
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,25-26,30H,12,15,20-24H2,1-2H3/t25-,26+/m1/s1
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n/an/a 21n/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))		BDBM50054734
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1
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n/an/a 23n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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 26n/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))		BDBM50054735
PNG
(CHEMBL142041 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-29(20-12-15-25-13-6-3-7-14-25)21-22-30(2)23-24-31-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28H,12,15,20-24H2,1-2H3
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n/an/a 27n/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))		BDBM50054734
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1
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n/an/a 28n/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))		BDBM50054747
PNG
(((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-26-14-10-24(11-15-26)29(25-12-16-27(31)17-13-25)34-21-20-33-19-5-9-28(33)22-32-18-4-8-23-6-2-1-3-7-23/h1-3,6-7,10-17,28-29,32H,4-5,8-9,18-22H2/t28-/m0/s1
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n/an/a 29n/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))		BDBM50054721
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
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n/an/a 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))		BDBM50054724
PNG
(3-(3-{[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-...)
Show SMILES Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H36N2O2/c32-28-17-7-10-24(22-28)11-8-18-30-23-27-16-9-19-31(27)20-21-33-29(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-7,10,12-15,17,22,27,29-30,32H,8-9,11,16,18-21,23H2/t27-/m0/s1
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n/an/a 31n/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))		BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
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n/an/a 33n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054735
PNG
(CHEMBL142041 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-29(20-12-15-25-13-6-3-7-14-25)21-22-30(2)23-24-31-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28H,12,15,20-24H2,1-2H3
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n/an/a 34n/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))		BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
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n/an/a 35n/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))		BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
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n/an/a 35n/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))		BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
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n/an/a 36n/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))		BDBM50054741
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H36F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-5,7-8,10-17,23-24,30H,6,9,18-22H2,1-2H3/t23-,24+/m1/s1
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n/an/a 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))		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 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))		BDBM50054721
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
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n/an/a 44n/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 affinity 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))		BDBM50054751
PNG
((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-azepa...)
Show SMILES C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-23-32-22-11-10-20-29(25-32)31-21-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 57n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054721
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
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n/an/a 65n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054752
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-pip...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
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n/an/a 67n/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))		BDBM50054737
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pipera...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H22F2N2O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)24-14-13-23-11-9-22-10-12-23/h1-8,19,22H,9-14H2
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n/an/a 71n/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 serotonin 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 73n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054751
PNG
((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-azepa...)
Show SMILES C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-23-32-22-11-10-20-29(25-32)31-21-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 74n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054751
PNG
((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-azepa...)
Show SMILES C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-23-32-22-11-10-20-29(25-32)31-21-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 78n/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))		BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
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n/an/a 80n/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))		BDBM50054738
PNG
(CHEMBL356790 | N-(2-Benzhydryloxy-ethyl)-2,2-dimet...)
Show SMILES CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3
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n/an/a 83n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054745
PNG
(CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...)
Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 83n/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))		BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
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n/an/a 86n/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))		BDBM50054730
PNG
(1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...)
Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3
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n/an/a 87n/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))		BDBM50054744
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-27(14-5-1)15-12-22-31-20-10-11-21-32(24-23-31)25-26-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 93n/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))		BDBM50054746
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-19,25-26,30H,20-24H2,1-2H3/b15-12+/t25-,26+/m1/s1
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n/an/a 103n/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))		BDBM50054737
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pipera...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H22F2N2O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)24-14-13-23-11-9-22-10-12-23/h1-8,19,22H,9-14H2
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n/an/a 104n/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))		BDBM50054747
PNG
(((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-26-14-10-24(11-15-26)29(25-12-16-27(31)17-13-25)34-21-20-33-19-5-9-28(33)22-32-18-4-8-23-6-2-1-3-7-23/h1-3,6-7,10-17,28-29,32H,4-5,8-9,18-22H2/t28-/m0/s1
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n/an/a 104n/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))		BDBM50054721
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
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n/an/a 106n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054739
PNG
(1-(3-Phenyl-propyl)-piperazine | CHEMBL143750)
Show SMILES C(CN1CCNCC1)Cc1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
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n/an/a 109n/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))		BDBM50054740
PNG
(1-(2-Benzhydryloxy-ethyl)-piperazine | CHEMBL14252...)
Show SMILES C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21/h1-10,19-20H,11-16H2
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n/an/a 110n/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 serotonin 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 112n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054740
PNG
(1-(2-Benzhydryloxy-ethyl)-piperazine | CHEMBL14252...)
Show SMILES C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21/h1-10,19-20H,11-16H2
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n/an/a 124n/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))		BDBM50054743
PNG
(CHEMBL142500 | [(R)-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-/m1/s1
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n/an/a 127n/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))		BDBM50054752
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-pip...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
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n/an/a 138n/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))		BDBM50054749
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2
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n/an/a 143n/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))		BDBM50054738
PNG
(CHEMBL356790 | N-(2-Benzhydryloxy-ethyl)-2,2-dimet...)
Show SMILES CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3
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n/an/a 169n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054744
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-27(14-5-1)15-12-22-31-20-10-11-21-32(24-23-31)25-26-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 180n/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))		BDBM50054724
PNG
(3-(3-{[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-...)
Show SMILES Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H36N2O2/c32-28-17-7-10-24(22-28)11-8-18-30-23-27-16-9-19-31(27)20-21-33-29(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-7,10,12-15,17,22,27,29-30,32H,8-9,11,16,18-21,23H2/t27-/m0/s1
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n/an/a 222n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054725
PNG
(CHEMBL143648 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CNCCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c1-20-13-14-21(2)15-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
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n/an/a 231n/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 serotonin 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 234n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054733
PNG
(1-((E)-3-Phenyl-propenyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(\C=C\N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C14H20N2/c1-2-6-14(7-3-1)8-4-11-16-12-5-9-15-10-13-16/h1-4,6-7,11,15H,5,8-10,12-13H2/b11-4+
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n/an/a 252n/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 serotonin 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 278n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054730
PNG
(1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...)
Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3
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n/an/a 286n/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 serotonin 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 289n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 304n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 341n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054739
PNG
(1-(3-Phenyl-propyl)-piperazine | CHEMBL143750)
Show SMILES C(CN1CCNCC1)Cc1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
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n/an/a 361n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
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n/an/a 376n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054748
PNG
(CHEMBL141882 | N*1*-(2-Benzhydryloxy-ethyl)-2,2-di...)
Show SMILES CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3
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n/an/a 453n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054741
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H36F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-5,7-8,10-17,23-24,30H,6,9,18-22H2,1-2H3/t23-,24+/m1/s1
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n/an/a 459n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 478n/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 serotonin 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 503n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054755
PNG
(CHEMBL143846 | N*1*-(2-Benzhydryloxy-ethyl)-butane...)
Show SMILES NCCCCNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
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n/an/a 510n/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))		BDBM50054725
PNG
(CHEMBL143648 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CNCCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c1-20-13-14-21(2)15-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
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n/an/a 545n/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))		BDBM50054756
PNG
(1-(2-Benzhydryloxy-ethyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(CN1CCCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-16-22-14-7-12-21-13-15-22/h1-6,8-11,20-21H,7,12-17H2
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n/an/a 651n/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))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 660n/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))		BDBM50054743
PNG
(CHEMBL142500 | [(R)-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-/m1/s1
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n/an/a 747n/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))		BDBM50054725
PNG
(CHEMBL143648 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CNCCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c1-20-13-14-21(2)15-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
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n/an/a 834n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054724
PNG
(3-(3-{[(S)-1-(2-Benzhydryloxy-ethyl)-pyrrolidin-2-...)
Show SMILES Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H36N2O2/c32-28-17-7-10-24(22-28)11-8-18-30-23-27-16-9-19-31(27)20-21-33-29(25-12-3-1-4-13-25)26-14-5-2-6-15-26/h1-7,10,12-15,17,22,27,29-30,32H,8-9,11,16,18-21,23H2/t27-/m0/s1
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n/an/a 857n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054744
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-27(14-5-1)15-12-22-31-20-10-11-21-32(24-23-31)25-26-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 864n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054737
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pipera...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H22F2N2O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)24-14-13-23-11-9-22-10-12-23/h1-8,19,22H,9-14H2
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n/an/a 965n/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 serotonin 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 986n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054752
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-pip...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
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n/an/a 1.00E+3n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
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n/an/a 1.05E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054734
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H34F2N2O/c1-23-22-34(24(2)21-33(23)18-6-9-25-7-4-3-5-8-25)19-20-35-30(26-10-14-28(31)15-11-26)27-12-16-29(32)17-13-27/h3-17,23-24,30H,18-22H2,1-2H3/b9-6+/t23-,24+/m1/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054729
PNG
((2S,5R)-2,5-Dimethyl-1,4-bis-(3-phenyl-propyl)-pip...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C24H34N2/c1-21-19-26(18-10-16-24-13-7-4-8-14-24)22(2)20-25(21)17-9-15-23-11-5-3-6-12-23/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3/t21-,22+
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n/an/a 1.33E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		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 1.34E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054756
PNG
(1-(2-Benzhydryloxy-ethyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(CN1CCCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-16-22-14-7-12-21-13-15-22/h1-6,8-11,20-21H,7,12-17H2
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n/an/a 1.36E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054737
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-pipera...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H22F2N2O/c20-17-5-1-15(2-6-17)19(16-3-7-18(21)8-4-16)24-14-13-23-11-9-22-10-12-23/h1-8,19,22H,9-14H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054748
PNG
(CHEMBL141882 | N*1*-(2-Benzhydryloxy-ethyl)-2,2-di...)
Show SMILES CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3
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n/an/a 1.46E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054745
PNG
(CHEMBL357008 | [1-(2-Benzhydryloxy-ethyl)-azepan-3...)
Show SMILES C(CNC1CCCCN(CCOC(c2ccccc2)c2ccccc2)C1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054740
PNG
(1-(2-Benzhydryloxy-ethyl)-piperazine | CHEMBL14252...)
Show SMILES C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21/h1-10,19-20H,11-16H2
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n/an/a 1.48E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054744
PNG
(1-(2-Benzhydryloxy-ethyl)-4-(3-phenyl-propyl)-[1,4...)
Show SMILES C(CN1CCCCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-27(14-5-1)15-12-22-31-20-10-11-21-32(24-23-31)25-26-33-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,13-14,16-19,30H,10-12,15,20-26H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		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 1.64E+3n/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 serotonin 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 1.71E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054753
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,25-26,30H,12,15,20-24H2,1-2H3/t25-,26+/m1/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054733
PNG
(1-((E)-3-Phenyl-propenyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(\C=C\N1CCCNCC1)c1ccccc1
Show InChI InChI=1S/C14H20N2/c1-2-6-14(7-3-1)8-4-11-16-12-5-9-15-10-13-16/h1-4,6-7,11,15H,5,8-10,12-13H2/b11-4+
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n/an/a 1.73E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054738
PNG
(CHEMBL356790 | N-(2-Benzhydryloxy-ethyl)-2,2-dimet...)
Show SMILES CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3
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n/an/a 1.89E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054749
PNG
(1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-[1,4]d...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H24F2N2O/c21-18-6-2-16(3-7-18)20(17-4-8-19(22)9-5-17)25-15-14-24-12-1-10-23-11-13-24/h2-9,20,23H,1,10-15H2
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n/an/a 2.08E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054735
PNG
(CHEMBL142041 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CN(CCCc1ccccc1)CCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-29(20-12-15-25-13-6-3-7-14-25)21-22-30(2)23-24-31-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28H,12,15,20-24H2,1-2H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054729
PNG
((2S,5R)-2,5-Dimethyl-1,4-bis-(3-phenyl-propyl)-pip...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C24H34N2/c1-21-19-26(18-10-16-24-13-7-4-8-14-24)22(2)20-25(21)17-9-15-23-11-5-3-6-12-23/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3/t21-,22+
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n/an/a 2.53E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054746
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36N2O/c1-25-24-32(26(2)23-31(25)20-12-15-27-13-6-3-7-14-27)21-22-33-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-19,25-26,30H,20-24H2,1-2H3/b15-12+/t25-,26+/m1/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054751
PNG
((2-Benzhydryloxy-ethyl)-[1-(3-phenyl-propyl)-azepa...)
Show SMILES C(CN1CCCCC(C1)NCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-23-32-22-11-10-20-29(25-32)31-21-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
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n/an/a 2.86E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054730
PNG
(1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...)
Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054743
PNG
(CHEMBL142500 | [(R)-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-/m1/s1
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n/an/a 3.21E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
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n/an/a 3.64E+3n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
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n/an/a 4.00E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
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n/an/a 4.24E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
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n/an/a 6.22E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054755
PNG
(CHEMBL143846 | N*1*-(2-Benzhydryloxy-ethyl)-butane...)
Show SMILES NCCCCNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
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n/an/a 6.83E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		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 7.76E+3n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054721
PNG
((2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl...)
Show SMILES C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H26F2N2O/c1-15-14-25(16(2)13-24-15)11-12-26-21(17-3-7-19(22)8-4-17)18-5-9-20(23)10-6-18/h3-10,15-16,21,24H,11-14H2,1-2H3/t15-,16+/m1/s1
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n/an/a 8.94E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054740
PNG
(1-(2-Benzhydryloxy-ethyl)-piperazine | CHEMBL14252...)
Show SMILES C(CN1CCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21/h1-10,19-20H,11-16H2
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n/an/a 9.57E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054755
PNG
(CHEMBL143846 | N*1*-(2-Benzhydryloxy-ethyl)-butane...)
Show SMILES NCCCCNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
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n/an/a 9.78E+3n/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))		BDBM50054729
PNG
((2S,5R)-2,5-Dimethyl-1,4-bis-(3-phenyl-propyl)-pip...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1
Show InChI InChI=1S/C24H34N2/c1-21-19-26(18-10-16-24-13-7-4-8-14-24)22(2)20-25(21)17-9-15-23-11-5-3-6-12-23/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3/t21-,22+
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n/an/a 9.94E+3n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50054755
PNG
(CHEMBL143846 | N*1*-(2-Benzhydryloxy-ethyl)-butane...)
Show SMILES NCCCCNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
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n/an/a>1.00E+4n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054725
PNG
(CHEMBL143648 | N-(2-Benzhydryloxy-ethyl)-N,N'-dime...)
Show SMILES CNCCN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H26N2O/c1-20-13-14-21(2)15-16-22-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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>1.00E+4n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054748
PNG
(CHEMBL141882 | N*1*-(2-Benzhydryloxy-ethyl)-2,2-di...)
Show SMILES CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		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>1.00E+4n/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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054732
PNG
((2S,5R)-2,5-Dimethyl-1-(3-phenyl-propyl)-piperazin...)
Show SMILES C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C15H24N2/c1-13-12-17(14(2)11-16-13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3/t13-,14+/m1/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054756
PNG
(1-(2-Benzhydryloxy-ethyl)-[1,4]diazepane | CHEMBL1...)
Show SMILES C(CN1CCCNCC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)23-17-16-22-14-7-12-21-13-15-22/h1-6,8-11,20-21H,7,12-17H2
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n/an/a 1.43E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054747
PNG
(((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-26-14-10-24(11-15-26)29(25-12-16-27(31)17-13-25)34-21-20-33-19-5-9-28(33)22-32-18-4-8-23-6-2-1-3-7-23/h1-3,6-7,10-17,28-29,32H,4-5,8-9,18-22H2/t28-/m0/s1
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n/an/a 2.01E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50054752
PNG
((2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-pip...)
Show SMILES C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C21H28N2O/c1-17-16-23(18(2)15-22-17)13-14-24-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3/t17-,18+/m1/s1
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n/an/a 2.53E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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))		BDBM50054732
PNG
((2S,5R)-2,5-Dimethyl-1-(3-phenyl-propyl)-piperazin...)
Show SMILES C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C15H24N2/c1-13-12-17(14(2)11-16-13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3/t13-,14+/m1/s1
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n/an/a>3.00E+4n/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))		BDBM50054732
PNG
((2S,5R)-2,5-Dimethyl-1-(3-phenyl-propyl)-piperazin...)
Show SMILES C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1
Show InChI InChI=1S/C15H24N2/c1-13-12-17(14(2)11-16-13)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3/t13-,14+/m1/s1
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n/an/a>3.00E+4n/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))		BDBM50054739
PNG
(1-(3-Phenyl-propyl)-piperazine | CHEMBL143750)
Show SMILES C(CN1CCNCC1)Cc1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
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n/an/a>3.00E+4n/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))		BDBM50054739
PNG
(1-(3-Phenyl-propyl)-piperazine | CHEMBL143750)
Show SMILES C(CN1CCNCC1)Cc1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
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n/an/a>3.00E+4n/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 serotonin 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 3.41E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat serotonin transporter

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
* indicates data uncertainty>20%