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12 similar compounds to monomer 50102006

Compile data set for download or QSAR
Wt: 385.5
BDBM50102000
Wt: 385.5
BDBM50102002
Wt: 385.5
BDBM50102003
Wt: 385.5
BDBM50102008
Wt: 385.5
BDBM50102009
Wt: 355.4
BDBM50102010
Wt: 385.5
BDBM50102011
Wt: 355.4
BDBM50102019
Wt: 385.5
BDBM50102023
Wt: 431.5
BDBM50262513
Wt: 431.5
BDBM50262514
Wt: 341.4
BDBM50330839

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50102000,50102002,50102003,50102008,50102009,50102010,50102011,50102019,50102023,50262513,50262514,50330839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102023
PNG
(3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CN(CCc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-19-16-28(12-11-21(19)25)20-8-6-18(7-9-20)23-15-27-24-10-5-17(14-26)13-22(23)24/h2-5,10,13,15,18,20,27H,6-9,11-12,16H2,1H3/t18-,20+
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0.610n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102009
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21+
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0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102003
PNG
(3-[4-(8-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CCN(Cc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-18-11-12-28(16-23(18)25)20-8-6-19(7-9-20)22-15-27-24-10-5-17(14-26)13-21(22)24/h2-5,10,13,15,19-20,27H,6-9,11-12,16H2,1H3/t19-,20+
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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1.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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4.51n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262513
PNG
(CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+
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6.16n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102000
PNG
(3-[4-(8-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CCN(Cc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-18-11-12-28(16-23(18)25)20-8-6-19(7-9-20)22-15-27-24-10-5-17(14-26)13-21(22)24/h2-5,10,13,15,19-20,27H,6-9,11-12,16H2,1H3/t19-,20-
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7.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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8n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102011
PNG
(3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CN(CCc12)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-19-16-28(12-11-21(19)25)20-8-6-18(7-9-20)23-15-27-24-10-5-17(14-26)13-22(23)24/h2-5,10,13,15,18,20,27H,6-9,11-12,16H2,1H3/t18-,20-
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12n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102002
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21-
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12n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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73.7n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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88n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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90.7n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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96.7n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262514
PNG
(CHEMBL477587 | trans-3-(4-(6-(3-fluoropropoxy)-3,4...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
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102n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50102002
PNG
(3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21-
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113n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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184n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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189n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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228n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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267n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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286n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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309n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262514
PNG
(CHEMBL477587 | trans-3-(4-(6-(3-fluoropropoxy)-3,4...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
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327n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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337n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.


Bioorg Med Chem Lett 11: 1885-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00334-1
BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50262514
PNG
(CHEMBL477587 | trans-3-(4-(6-(3-fluoropropoxy)-3,4...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
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343n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50262513
PNG
(CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+
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366n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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424n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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462n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50102008
PNG
(3-[4-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-20-16-28(11-10-19(20)13-22)21-6-3-18(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,18,21,27H,3-4,6-7,10-11,16H2,1H3/t18-,21-
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518n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262513
PNG
(CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+
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772n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262513
PNG
(CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+
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914n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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>1.00E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50102010
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+
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1.43E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262514
PNG
(CHEMBL477587 | trans-3-(4-(6-(3-fluoropropoxy)-3,4...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
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2.31E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50102019
PNG
(3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21-
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2.53E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262514
PNG
(CHEMBL477587 | trans-3-(4-(6-(3-fluoropropoxy)-3,4...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23-
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>2.86E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262513
PNG
(CHEMBL449277 | cis-3-(4-(6-(3-fluoropropoxy)-3,4-d...)
Show SMILES FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C27H30FN3O/c28-11-1-13-32-24-8-5-22-18-31(12-10-21(22)15-24)23-6-3-20(4-7-23)26-17-30-27-9-2-19(16-29)14-25(26)27/h2,5,8-9,14-15,17,20,23,30H,1,3-4,6-7,10-13,18H2/t20-,23+
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5.67E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330839
PNG
(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)cyclopentyl)...)
Show SMILES N#Cc1ccc2[nH]cc(C3CCC(C3)N3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C23H23N3/c24-13-16-5-8-23-21(11-16)22(14-25-23)18-6-7-20(12-18)26-10-9-17-3-1-2-4-19(17)15-26/h1-5,8,11,14,18,20,25H,6-7,9-10,12,15H2
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n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair