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PubMed code 15109671

Compile data set for download or QSAR
Found 29 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 serotonin transporter


(Homo sapiens (human))
BDBM50145598
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452111
PNG
(CHEMBL2112353)
Show SMILES COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
Show InChI InChI=1S/C29H34N2O3/c1-19-14-26-27(30-19)7-5-9-29(26)34-18-24(32)17-31-13-12-23(15-20(31)2)22-11-10-21-6-4-8-28(33-3)25(21)16-22/h4-11,14,16,20,23-24,30,32H,12-13,15,17-18H2,1-3H3/t20-,23+,24-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452114
PNG
(CHEMBL2112350)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N2O2/c1-19-14-26-27(29-19)8-5-9-28(26)32-18-25(31)17-30-13-12-24(15-20(30)2)23-11-10-21-6-3-4-7-22(21)16-23/h3-11,14,16,20,24-25,29,31H,12-13,15,17-18H2,1-2H3/t20-,24+,25-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50135246
PNG
((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452112
PNG
(CHEMBL2112356)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1
Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-8-7-20(13-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452113
PNG
(CHEMBL2112355)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1
Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-13-20(7-8-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452109
PNG
(CHEMBL2112358)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-31-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50135256
PNG
((S)-1-((2S,4R)-4-(4-methoxybenzo[b]thiophen-2-yl)-...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
Show InChI InChI=1S/C27H32N2O3S/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3/t18-,19+,20-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452108
PNG
(CHEMBL2112357)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452110
PNG
(CHEMBL2112354)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1
Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-25(23)31-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-30-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452115
PNG
(CHEMBL2112352)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12
Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50145589
PNG
((R)-1-((3S,4R)-4-Benzofuran-5-yl-2-methyl-piperidi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-26(23)31-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-25-21(14-19)9-11-30-25/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50145598
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50145589
PNG
((R)-1-((3S,4R)-4-Benzofuran-5-yl-2-methyl-piperidi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-26(23)31-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-25-21(14-19)9-11-30-25/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50145593
PNG
((R)-1-(4-Benzo[b]thiophen-3-yl-piperidin-1-yl)-3-(...)
Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1csc2ccccc12
Show InChI InChI=1S/C24H26N2O2S/c27-18(15-28-23-6-3-5-22-20(23)8-11-25-22)14-26-12-9-17(10-13-26)21-16-29-24-7-2-1-4-19(21)24/h1-8,11,16-18,25,27H,9-10,12-15H2/t18-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50145600
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452112
PNG
(CHEMBL2112356)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1
Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-8-7-20(13-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50145601
PNG
((R)-1-(4-Benzo[b]thiophen-2-yl-piperidin-1-yl)-3-(...)
Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C24H26N2O2S/c27-19(16-28-22-6-3-5-21-20(22)8-11-25-21)15-26-12-9-17(10-13-26)24-14-18-4-1-2-7-23(18)29-24/h1-8,11,14,17,19,25,27H,9-10,12-13,15-16H2/t19-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452110
PNG
(CHEMBL2112354)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1
Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-25(23)31-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-30-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50145600
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452109
PNG
(CHEMBL2112358)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-31-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452114
PNG
(CHEMBL2112350)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H32N2O2/c1-19-14-26-27(29-19)8-5-9-28(26)32-18-25(31)17-30-13-12-24(15-20(30)2)23-11-10-21-6-3-4-7-22(21)16-23/h3-11,14,16,20,24-25,29,31H,12-13,15,17-18H2,1-2H3/t20-,24+,25-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50135246
PNG
((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452115
PNG
(CHEMBL2112352)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12
Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452113
PNG
(CHEMBL2112355)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1
Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-13-20(7-8-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50452108
PNG
(CHEMBL2112357)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50452111
PNG
(CHEMBL2112353)
Show SMILES COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
Show InChI InChI=1S/C29H34N2O3/c1-19-14-26-27(30-19)7-5-9-29(26)34-18-24(32)17-31-13-12-23(15-20(31)2)22-11-10-21-6-4-8-28(33-3)25(21)16-22/h4-11,14,16,20,23-24,30,32H,12-13,15,17-18H2,1-3H3/t20-,23+,24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50135256
PNG
((S)-1-((2S,4R)-4-(4-methoxybenzo[b]thiophen-2-yl)-...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
Show InChI InChI=1S/C27H32N2O3S/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3/t18-,19+,20-/m0/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50145601
PNG
((R)-1-(4-Benzo[b]thiophen-2-yl-piperidin-1-yl)-3-(...)
Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C24H26N2O2S/c27-19(16-28-22-6-3-5-21-20(22)8-11-25-21)15-26-12-9-17(10-13-26)24-14-18-4-1-2-7-23(18)29-24/h1-8,11,14,17,19,25,27H,9-10,12-13,15-16H2/t19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%