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PubMed code 11806716

Compile data set for download or QSAR
Found 44 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))		BDBM50108815
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-iodo-benzyl)-piperi...)
Show SMILES Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30INO/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 0.960n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108818
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-vinyl-benzyl)-piper...)
Show SMILES C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2
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n/an/a 2.96n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108817
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-ethynyl-benzyl)-pip...)
Show SMILES C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H31NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h1,3-16,25,29H,17-23H2
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n/an/a 4.10n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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n/an/a 4.5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108823
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES COC(=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33NO3/c1-32-29(31)27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28H,16-22H2,1H3
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n/an/a 8.23n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of 3[H] WIN-35 428 to Dopamine transporter (DAT) of rat striatum.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108820
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-isopropenyl-benzyl)...)
Show SMILES CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3
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n/an/a 11.6n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108821
PNG
(3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C27H31NO2/c29-26-13-7-8-23(20-26)21-28-17-14-22(15-18-28)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27,29H,14-19,21H2
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n/an/a 14.3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108824
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3-methoxy-benzyl)-pip...)
Show SMILES COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3
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n/an/a 19.6n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108819
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-2-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-10-33(11-4-1)37(34-12-5-2-6-13-34)39-26-23-29-21-24-38(25-22-29)28-30-15-17-32(18-16-30)36-20-19-31-9-7-8-14-35(31)27-36/h1-20,27,29,37H,21-26,28H2
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n/an/a 26.9n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108816
PNG
(3-(2-Benzhydryloxy-ethyl)-1-(4-isopropyl-benzyl)-p...)
Show SMILES CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C30H37NO/c1-24(2)27-17-15-26(16-18-27)23-31-20-9-10-25(22-31)19-21-32-30(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,24-25,30H,9-10,19-23H2,1-2H3
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n/an/a 63.1n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108822
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-prop-1-ynyl-benzyl)...)
Show SMILES CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H33NO/c1-2-9-25-14-16-27(17-15-25)24-31-21-18-26(19-22-31)20-23-32-30(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,26,30H,18-24H2,1H3
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n/an/a 65.1n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108825
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-1-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2
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n/an/a 113n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of [3H]- citalopram to Serotonin transporter (SERT) of rat cerebral cortex.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50108826
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31NO2/c29-26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 240n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of 3[H] WIN-35 428 to Dopamine transporter (DAT) of rat striatum.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108819
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-2-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-10-33(11-4-1)37(34-12-5-2-6-13-34)39-26-23-29-21-24-38(25-22-29)28-30-15-17-32(18-16-30)36-20-19-31-9-7-8-14-35(31)27-36/h1-20,27,29,37H,21-26,28H2
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n/an/a 393n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108824
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3-methoxy-benzyl)-pip...)
Show SMILES COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3
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n/an/a 472n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of [3H]- nisoxatine to Norepinephrine transporter (NET) of rat cerebral cortex.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108821
PNG
(3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C27H31NO2/c29-26-13-7-8-23(20-26)21-28-17-14-22(15-18-28)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27,29H,14-19,21H2
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n/an/a 678n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108818
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-vinyl-benzyl)-piper...)
Show SMILES C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2
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n/an/a 715n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of [3H]- citalopram to Serotonin transporter (SERT) of rat cerebral cortex.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108817
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-ethynyl-benzyl)-pip...)
Show SMILES C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H31NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h1,3-16,25,29H,17-23H2
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n/an/a 760n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108820
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-isopropenyl-benzyl)...)
Show SMILES CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3
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n/an/a 832n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108819
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-2-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-10-33(11-4-1)37(34-12-5-2-6-13-34)39-26-23-29-21-24-38(25-22-29)28-30-15-17-32(18-16-30)36-20-19-31-9-7-8-14-35(31)27-36/h1-20,27,29,37H,21-26,28H2
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n/an/a 856n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108823
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES COC(=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33NO3/c1-32-29(31)27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28H,16-22H2,1H3
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n/an/a 924n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108821
PNG
(3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C27H31NO2/c29-26-13-7-8-23(20-26)21-28-17-14-22(15-18-28)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27,29H,14-19,21H2
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n/an/a 984n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108820
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-isopropenyl-benzyl)...)
Show SMILES CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H35NO/c1-24(2)27-15-13-26(14-16-27)23-31-20-17-25(18-21-31)19-22-32-30(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,25,30H,1,17-23H2,2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108817
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-ethynyl-benzyl)-pip...)
Show SMILES C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H31NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h1,3-16,25,29H,17-23H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108816
PNG
(3-(2-Benzhydryloxy-ethyl)-1-(4-isopropyl-benzyl)-p...)
Show SMILES CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C30H37NO/c1-24(2)27-17-15-26(16-18-27)23-31-20-9-10-25(22-31)19-21-32-30(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,24-25,30H,9-10,19-23H2,1-2H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108824
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(3-methoxy-benzyl)-pip...)
Show SMILES COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
Show InChI InChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108815
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-iodo-benzyl)-piperi...)
Show SMILES Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30INO/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 1.15E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108822
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-prop-1-ynyl-benzyl)...)
Show SMILES CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H33NO/c1-2-9-25-14-16-27(17-15-25)24-31-21-18-26(19-22-31)20-23-32-30(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,26,30H,18-24H2,1H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108818
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-vinyl-benzyl)-piper...)
Show SMILES C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2
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n/an/a 1.47E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108825
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-1-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2
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n/an/a 1.49E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108816
PNG
(3-(2-Benzhydryloxy-ethyl)-1-(4-isopropyl-benzyl)-p...)
Show SMILES CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C30H37NO/c1-24(2)27-17-15-26(16-18-27)23-31-20-9-10-25(22-31)19-21-32-30(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,24-25,30H,9-10,19-23H2,1-2H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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n/an/a 1.56E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108822
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-prop-1-ynyl-benzyl)...)
Show SMILES CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C30H33NO/c1-2-9-25-14-16-27(17-15-25)24-31-21-18-26(19-22-31)20-23-32-30(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,26,30H,18-24H2,1H3
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n/an/a 2.41E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50098396
PNG
(Benzhydryl-[2-(1-benzyl-piperidin-4-yl)-ethyl]-ami...)
Show SMILES C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2/c1-4-10-24(11-5-1)22-29-20-17-23(18-21-29)16-19-28-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27-28H,16-22H2
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n/an/a 2.62E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Concentration causing 50% Inhibition of binding of [3H]- nisoxatine to Norepinephrine transporter (NET).

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108815
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-iodo-benzyl)-piperi...)
Show SMILES Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H30INO/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 2.92E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50108826
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31NO2/c29-26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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n/an/a 3.34E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
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
Inhibition of binding of [3H]- nisoxatine to Norepinephrine transporter (NET) of rat cerebral cortex.

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108825
PNG
(4-(2-Benzhydryloxy-ethyl)-1-(4-naphthalen-1-yl-ben...)
Show SMILES C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.16E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50108826
PNG
(4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]...)
Show SMILES Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H31NO2/c29-26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.33E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter

J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%