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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50011078   
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50102006
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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0.100n/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))
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


(Rattus norvegicus (rat))
BDBM50102005
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-6-methoxy-1,...)
Show SMILES COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
Show InChI InChI=1S/C21H23FN2O/c1-25-19-6-4-17-14-24(10-8-15(17)11-19)9-2-3-16-13-23-21-7-5-18(22)12-20(16)21/h4-7,11-13,23H,2-3,8-10,14H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes by [3H]-Citalopram 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


(Rattus norvegicus (rat))
BDBM50101999
PNG
(3-(4-Phenethylamino-cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C23H23N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-7,11,14,16,20,25-26H,8-10,12-13H2
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1.5n/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))
BDBM50102012
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-5-methoxy-1,...)
Show SMILES COc1cccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc12
Show InChI InChI=1S/C21H23FN2O/c1-25-21-6-2-4-16-14-24(11-9-18(16)21)10-3-5-15-13-23-20-8-7-17(22)12-19(15)20/h2,4,6-8,12-13,23H,3,5,9-11,14H2,1H3
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1.90n/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))
BDBM50102016
PNG
(3-(4-Phenethylamino-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C23H25N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-6,11,14,16,19-20,25-26H,7-10,12-13H2/t19-,20-
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2n/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))
BDBM50102017
PNG
(3-(4-Benzylamino-cyclohex-1-enyl)-1H-indole-5-carb...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C22H21N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-7,11-12,15,19,24-25H,8-10,14H2
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3.10n/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))
BDBM50102015
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-1,2,3,4-tetr...)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCc4ccccc4C3)c2c1
Show InChI InChI=1S/C20H21FN2/c21-18-7-8-20-19(12-18)16(13-22-20)6-3-10-23-11-9-15-4-1-2-5-17(15)14-23/h1-2,4-5,7-8,12-13,22H,3,6,9-11,14H2
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4.90n/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))
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))
BDBM50102024
PNG
(3-(4-Phenethylamino-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C23H25N3/c24-15-18-6-11-23-21(14-18)22(16-26-23)19-7-9-20(10-8-19)25-13-12-17-4-2-1-3-5-17/h1-6,11,14,16,19-20,25-26H,7-10,12-13H2/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))
BDBM50102014
PNG
(3-(4-Benzylamino-cyclohexyl)-1H-indole-5-carbonitr...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C22H23N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-6,11-12,15,18-19,24-25H,7-10,14H2/t18-,19+
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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


(Rattus norvegicus (rat))
BDBM50102007
PNG
(Benzyl-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-ami...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C21H23FN2/c22-17-8-11-21-19(12-17)20(14-24-21)16-6-9-18(10-7-16)23-13-15-4-2-1-3-5-15/h1-5,8,11-12,14,16,18,23-24H,6-7,9-10,13H2/t16-,18-
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16n/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))
BDBM50102013
PNG
(Benzyl-[4-(5-fluoro-1H-indol-3-yl)-cyclohexyl]-ami...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C21H23FN2/c22-17-8-11-21-19(12-17)20(14-24-21)16-6-9-18(10-7-16)23-13-15-4-2-1-3-5-15/h1-5,8,11-12,14,16,18,23-24H,6-7,9-10,13H2/t16-,18+
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21n/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))
BDBM50102001
PNG
(3-(4-Piperidin-1-yl-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C20H25N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4,9,12,14,16-17,22H,1-3,5-8,10-11H2/t16-,17+
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22n/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))
BDBM50102021
PNG
(3-(4-Benzylamino-cyclohexyl)-1H-indole-5-carbonitr...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCc3ccccc3)c2c1
Show InChI InChI=1S/C22H23N3/c23-13-17-6-11-22-20(12-17)21(15-25-22)18-7-9-19(10-8-18)24-14-16-4-2-1-3-5-16/h1-6,11-12,15,18-19,24-25H,7-10,14H2/t18-,19-
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25n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50102005
PNG
(2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-6-methoxy-1,...)
Show SMILES COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
Show InChI InChI=1S/C21H23FN2O/c1-25-19-6-4-17-14-24(10-8-15(17)11-19)9-2-3-16-13-23-21-7-5-18(22)12-20(16)21/h4-7,11-13,23H,2-3,8-10,14H2,1H3
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58n/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
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


(Rattus norvegicus (rat))
BDBM50102022
PNG
(Benzyl-[4-(1H-indol-3-yl)-cyclohexyl]-amine | CHEM...)
Show SMILES C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-6-16(7-3-1)14-22-18-12-10-17(11-13-18)20-15-23-21-9-5-4-8-19(20)21/h1-9,15,17-18,22-23H,10-14H2/t17-,18-
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107n/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
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50102020
PNG
(3-(4-Piperidin-1-yl-cyclohexyl)-1H-indole-5-carbon...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C20H25N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4,9,12,14,16-17,22H,1-3,5-8,10-11H2/t16-,17-
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152n/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))
BDBM50102018
PNG
(3-(4-Piperidin-1-yl-cyclohex-1-enyl)-1H-indole-5-c...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCC(CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C20H23N3/c21-13-15-4-9-20-18(12-15)19(14-22-20)16-5-7-17(8-6-16)23-10-2-1-3-11-23/h4-5,9,12,14,17,22H,1-3,6-8,10-11H2
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178n/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
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
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102004
PNG
(Benzyl-[4-(1H-indol-3-yl)-cyclohexyl]-amine | CHEM...)
Show SMILES C(N[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-6-16(7-3-1)14-22-18-12-10-17(11-13-18)20-15-23-21-9-5-4-8-19(20)21/h1-9,15,17-18,22-23H,10-14H2/t17-,18+
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855n/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