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PubMed code 12646032

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125902
PNG
((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50055876
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 2.48n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125902
PNG
((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1
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n/an/a 4.05n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
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 6.63n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125905
PNG
((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1
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n/an/a 10.1n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
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 10.6n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125905
PNG
((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1
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n/an/a 11.2n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50055876
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 17.2n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125901
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)=CC2)cc1 |c:27|
Show InChI InChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2
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n/an/a 37.8n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125903
PNG
((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125903
PNG
((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1
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n/an/a 56.7n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125906
PNG
((S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
Show InChI InChI=1S/C27H28FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,27H,15-20H2/t22-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
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 132n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
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 266n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		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 496n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50125900
PNG
(CHEMBL20362 | Propionic acid (3S,4S)-4-(2-benzhydr...)
Show SMILES CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34FNO3/c1-2-29(33)35-28-22-32(21-23-13-15-27(31)16-14-23)19-17-24(28)18-20-34-30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28,30H,2,17-22H2,1H3/t24-,28+/m0/s1
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n/an/a 583n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
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 737n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125901
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-1,2,...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)=CC2)cc1 |c:27|
Show InChI InChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2
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n/an/a 1.11E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50125903
PNG
((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125903
PNG
((3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26+/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50125902
PNG
((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1
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n/an/a 1.88E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50055876
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-pipe...)
Show SMILES Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2
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n/an/a 1.92E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50125905
PNG
((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125905
PNG
((3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1
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n/an/a 3.31E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		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 3.53E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125902
PNG
((1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benz...)
Show SMILES OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26?/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50125906
PNG
((S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
Show InChI InChI=1S/C27H28FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,27H,15-20H2/t22-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125906
PNG
((S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-...)
Show SMILES Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
Show InChI InChI=1S/C27H28FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,27H,15-20H2/t22-/m0/s1
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n/an/a 7.75E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50125900
PNG
(CHEMBL20362 | Propionic acid (3S,4S)-4-(2-benzhydr...)
Show SMILES CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34FNO3/c1-2-29(33)35-28-22-32(21-23-13-15-27(31)16-14-23)19-17-24(28)18-20-34-30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28,30H,2,17-22H2,1H3/t24-,28+/m0/s1
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n/an/a 3.58E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50125900
PNG
(CHEMBL20362 | Propionic acid (3S,4S)-4-(2-benzhydr...)
Show SMILES CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34FNO3/c1-2-29(33)35-28-22-32(21-23-13-15-27(31)16-14-23)19-17-24(28)18-20-34-30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28,30H,2,17-22H2,1H3/t24-,28+/m0/s1
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n/an/a 1.78E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand

J Med Chem 46: 1220-8 (2003)


Article DOI: 10.1021/jm020275k
BindingDB Entry DOI: 10.7270/Q2CZ37XT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%