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PubMed code 12749894

Compile data set for download or QSAR
Found 48 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128381
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(5-methoxy-benzo[b]t...)
Show SMILES COc1ccc2sc(cc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-20-5-6-24-18(13-20)14-25(31-24)17-8-11-27(12-9-17)15-19(28)16-30-23-4-2-3-22-21(23)7-10-26-22/h2-7,10,13-14,17,19,26,28H,8-9,11-12,15-16H2,1H3/t19-/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 of the compound was determined towards 5-HT1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128368
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-methoxy-benzo[b]t...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-22-5-3-7-24-20(22)14-25(31-24)17-9-12-27(13-10-17)15-18(28)16-30-23-6-2-4-21-19(23)8-11-26-21/h2-8,11,14,17-18,26,28H,9-10,12-13,15-16H2,1H3/t18-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128367
PNG
((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128366
PNG
(2-{1-[(S)-2-Hydroxy-3-(1H-indol-4-yloxy)-propyl]-p...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C24H26N2O3S/c27-18-5-4-17-12-23(30-24(17)13-18)16-7-10-26(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-25-21/h1-6,9,12-13,16,19,25,27-28H,7-8,10-11,14-15H2/t19-/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 determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128385
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-methoxy-benzo[b]t...)
Show SMILES COc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-20-6-5-18-13-24(31-25(18)14-20)17-8-11-27(12-9-17)15-19(28)16-30-23-4-2-3-22-21(23)7-10-26-22/h2-7,10,13-14,17,19,26,28H,8-9,11-12,15-16H2,1H3/t19-/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 of the compound was determined towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128371
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-methyl-benzo[b]th...)
Show SMILES Cc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-4-2-7-24-21(17)14-25(30-24)18-9-12-27(13-10-18)15-19(28)16-29-23-6-3-5-22-20(23)8-11-26-22/h2-8,11,14,18-19,26,28H,9-10,12-13,15-16H2,1H3/t19-/m0/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 towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128380
PNG
((S)-1-(1H-indol-4-yloxy)-3-(4-(benzo[b]thiophen-2-...)
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-/m0/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 determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128371
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-methyl-benzo[b]th...)
Show SMILES Cc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-4-2-7-24-21(17)14-25(30-24)18-9-12-27(13-10-18)15-19(28)16-29-23-6-3-5-22-20(23)8-11-26-22/h2-8,11,14,18-19,26,28H,9-10,12-13,15-16H2,1H3/t19-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128370
PNG
((S)-1-(4-(4-methoxybenzo[b]thiophen-2-yl)piperidin...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)CC1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-20-22(27-17)5-3-7-24(20)31-16-19(29)15-28-11-9-18(10-12-28)26-14-21-23(30-2)6-4-8-25(21)32-26/h3-8,13-14,18-19,27,29H,9-12,15-16H2,1-2H3/t19-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128387
PNG
((S)-1-[4-(5-Fluoro-3-methyl-benzo[b]thiophen-2-yl)...)
Show SMILES Cc1c(sc2ccc(F)cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-21-13-18(26)5-6-24(21)31-25(16)17-8-11-28(12-9-17)14-19(29)15-30-23-4-2-3-22-20(23)7-10-27-22/h2-7,10,13,17,19,27,29H,8-9,11-12,14-15H2,1H3/t19-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128383
PNG
((S)-1-[4-(5-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(F)ccc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)25-13-18-12-19(26)5-6-24(18)31-25/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128377
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-methoxy-3-methyl-...)
Show SMILES COc1ccc2c(C)c(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C26H30N2O3S/c1-17-21-7-6-20(30-2)14-25(21)32-26(17)18-9-12-28(13-10-18)15-19(29)16-31-24-5-3-4-23-22(24)8-11-27-23/h3-8,11,14,18-19,27,29H,9-10,12-13,15-16H2,1-2H3/t19-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128364
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(7-methoxy-benzo[b]t...)
Show SMILES COc1cccc2cc(sc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-23-7-2-4-18-14-24(31-25(18)23)17-9-12-27(13-10-17)15-19(28)16-30-22-6-3-5-21-20(22)8-11-26-21/h2-8,11,14,17,19,26,28H,9-10,12-13,15-16H2,1H3/t19-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128378
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(3-methyl-benzo[b]th...)
Show SMILES Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-20-5-2-3-8-24(20)30-25(17)18-10-13-27(14-11-18)15-19(28)16-29-23-7-4-6-22-21(23)9-12-26-22/h2-9,12,18-19,26,28H,10-11,13-16H2,1H3/t19-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128365
PNG
((S)-1-[4-(4-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-20-3-1-6-23-19(20)13-24(30-23)16-8-11-27(12-9-16)14-17(28)15-29-22-5-2-4-21-18(22)7-10-26-21/h1-7,10,13,16-17,26,28H,8-9,11-12,14-15H2/t17-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128375
PNG
(2-{1-[(S)-2-Hydroxy-3-(1H-indol-4-yloxy)-propyl]-p...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cccc(O)c2s1
Show InChI InChI=1S/C24H26N2O3S/c27-18(15-29-22-6-2-4-20-19(22)7-10-25-20)14-26-11-8-16(9-12-26)23-13-17-3-1-5-21(28)24(17)30-23/h1-7,10,13,16,18,25,27-28H,8-9,11-12,14-15H2/t18-/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 determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128373
PNG
((S)-1-[4-(5-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-18-4-5-23-17(12-18)13-24(30-23)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/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 was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128369
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-isopropoxy-benzo[...)
Show SMILES CC(C)Oc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C27H32N2O3S/c1-18(2)32-25-7-4-8-26-22(25)15-27(33-26)19-10-13-29(14-11-19)16-20(30)17-31-24-6-3-5-23-21(24)9-12-28-23/h3-9,12,15,18-20,28,30H,10-11,13-14,16-17H2,1-2H3/t20-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards 5-HT1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128383
PNG
((S)-1-[4-(5-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(F)ccc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)25-13-18-12-19(26)5-6-24(18)31-25/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128372
PNG
((S)-1-[4-(6-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128389
PNG
((S)-1-[4-(4-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-20-3-1-6-23-19(20)13-24(30-23)16-8-11-27(12-9-16)14-17(28)15-29-22-5-2-4-21-18(22)7-10-26-21/h1-7,10,13,16-17,26,28H,8-9,11-12,14-15H2/t17-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128367
PNG
((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128388
PNG
((S)-1-[4-(4-Methyl-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cccc4s3)cccc2[nH]1
Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-21(17)14-26(31-25)19-9-11-28(12-10-19)15-20(29)16-30-24-7-4-6-23-22(24)13-18(2)27-23/h3-8,13-14,19-20,27,29H,9-12,15-16H2,1-2H3/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128384
PNG
((S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)24-12-18-5-6-19(26)13-25(18)31-24/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/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 towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128376
PNG
((S)-1-[4-(5-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-18-4-5-23-17(12-18)13-24(30-23)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128368
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-methoxy-benzo[b]t...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-22-5-3-7-24-20(22)14-25(31-24)17-9-12-27(13-10-17)15-18(28)16-30-23-6-2-4-21-19(23)8-11-26-21/h2-8,11,14,17-18,26,28H,9-10,12-13,15-16H2,1H3/t18-/m0/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128374
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-methyl-benzo[b]th...)
Show SMILES Cc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-5-6-19-14-25(30-24(19)13-17)18-8-11-27(12-9-18)15-20(28)16-29-23-4-2-3-22-21(23)7-10-26-22/h2-7,10,13-14,18,20,26,28H,8-9,11-12,15-16H2,1H3/t20-/m0/s1
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13n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128372
PNG
((S)-1-[4-(6-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/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 towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128390
PNG
((S)-1-[4-(4-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(F)cccc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-20-22(27-16)5-3-6-23(20)30-15-18(29)14-28-10-8-17(9-11-28)25-13-19-21(26)4-2-7-24(19)31-25/h2-7,12-13,17-18,27,29H,8-11,14-15H2,1H3/t18-/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 determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128384
PNG
((S)-1-[4-(6-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)24-12-18-5-6-19(26)13-25(18)31-24/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128389
PNG
((S)-1-[4-(4-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-20-3-1-6-23-19(20)13-24(30-23)16-8-11-27(12-9-16)14-17(28)15-29-22-5-2-4-21-18(22)7-10-26-21/h1-7,10,13,16-17,26,28H,8-9,11-12,14-15H2/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128365
PNG
((S)-1-[4-(4-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-20-3-1-6-23-19(20)13-24(30-23)16-8-11-27(12-9-16)14-17(28)15-29-22-5-2-4-21-18(22)7-10-26-21/h1-7,10,13,16-17,26,28H,8-9,11-12,14-15H2/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128380
PNG
((S)-1-(1H-indol-4-yloxy)-3-(4-(benzo[b]thiophen-2-...)
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-/m0/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128388
PNG
((S)-1-[4-(4-Methyl-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cccc4s3)cccc2[nH]1
Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-21(17)14-26(31-25)19-9-11-28(12-10-19)15-20(29)16-30-24-7-4-6-23-22(24)13-18(2)27-23/h3-8,13-14,19-20,27,29H,9-12,15-16H2,1-2H3/t20-/m0/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128391
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-isopropoxy-benzo[...)
Show SMILES CC(C)Oc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C27H32N2O3S/c1-18(2)32-22-7-6-20-14-26(33-27(20)15-22)19-9-12-29(13-10-19)16-21(30)17-31-25-5-3-4-24-23(25)8-11-28-24/h3-8,11,14-15,18-19,21,28,30H,9-10,12-13,16-17H2,1-2H3/t21-/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128379
PNG
((S)-1-[4-(6-Methyl-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(C)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C26H30N2O2S/c1-17-6-7-20-14-26(31-25(20)12-17)19-8-10-28(11-9-19)15-21(29)16-30-24-5-3-4-23-22(24)13-18(2)27-23/h3-7,12-14,19,21,27,29H,8-11,15-16H2,1-2H3/t21-/m0/s1
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23n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128378
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(3-methyl-benzo[b]th...)
Show SMILES Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-20-5-2-3-8-24(20)30-25(17)18-10-13-27(14-11-18)15-19(28)16-29-23-7-4-6-22-21(23)9-12-26-22/h2-9,12,18-19,26,28H,10-11,13-16H2,1H3/t19-/m0/s1
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128382
PNG
((S)-1-[4-(4,6-Dimethyl-benzo[b]thiophen-2-yl)-pipe...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cc(C)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C27H32N2O2S/c1-17-11-18(2)22-14-26(32-27(22)12-17)20-7-9-29(10-8-20)15-21(30)16-31-25-6-4-5-24-23(25)13-19(3)28-24/h4-6,11-14,20-21,28,30H,7-10,15-16H2,1-3H3/t21-/m0/s1
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28n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50128376
PNG
((S)-1-[4-(5-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C24H25FN2O2S/c25-18-4-5-23-17(12-18)13-24(30-23)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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29n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined towards 5-hydroxytryptamine 1A receptor receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128390
PNG
((S)-1-[4-(4-Fluoro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(F)cccc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-20-22(27-16)5-3-6-23(20)30-15-18(29)14-28-10-8-17(9-11-28)25-13-19-21(26)4-2-7-24(19)31-25/h2-7,12-13,17-18,27,29H,8-11,14-15H2,1H3/t18-/m0/s1
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34n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128375
PNG
(2-{1-[(S)-2-Hydroxy-3-(1H-indol-4-yloxy)-propyl]-p...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cccc(O)c2s1
Show InChI InChI=1S/C24H26N2O3S/c27-18(15-29-22-6-2-4-20-19(22)7-10-25-20)14-26-11-8-16(9-12-26)23-13-17-3-1-5-21(28)24(17)30-23/h1-7,10,13,16,18,25,27-28H,8-9,11-12,14-15H2/t18-/m0/s1
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128374
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-methyl-benzo[b]th...)
Show SMILES Cc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-5-6-19-14-25(30-24(19)13-17)18-8-11-27(12-9-18)15-20(28)16-29-23-4-2-3-22-21(23)7-10-26-22/h2-7,10,13-14,18,20,26,28H,8-9,11-12,15-16H2,1H3/t20-/m0/s1
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50n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128370
PNG
((S)-1-(4-(4-methoxybenzo[b]thiophen-2-yl)piperidin...)
Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)CC1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-20-22(27-17)5-3-7-24(20)31-16-19(29)15-28-11-9-18(10-12-28)26-14-21-23(30-2)6-4-8-25(21)32-26/h3-8,13-14,18-19,27,29H,9-12,15-16H2,1-2H3/t19-/m0/s1
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51n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128382
PNG
((S)-1-[4-(4,6-Dimethyl-benzo[b]thiophen-2-yl)-pipe...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cc(C)cc4s3)cccc2[nH]1
Show InChI InChI=1S/C27H32N2O2S/c1-17-11-18(2)22-14-26(32-27(22)12-17)20-7-9-29(10-8-20)15-21(30)16-31-25-6-4-5-24-23(25)13-19(3)28-24/h4-6,11-14,20-21,28,30H,7-10,15-16H2,1-3H3/t21-/m0/s1
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52n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128386
PNG
((S)-1-[4-(5-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(Cl)ccc4s3)cccc2[nH]1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-21-22(27-16)3-2-4-23(21)30-15-20(29)14-28-9-7-17(8-10-28)25-13-18-12-19(26)5-6-24(18)31-25/h2-6,11-13,17,20,27,29H,7-10,14-15H2,1H3/t20-/m0/s1
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61n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128385
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(6-methoxy-benzo[b]t...)
Show SMILES COc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-20-6-5-18-13-24(31-25(18)14-20)17-8-11-27(12-9-17)15-19(28)16-30-23-4-2-3-22-21(23)7-10-26-22/h2-7,10,13-14,17,19,26,28H,8-9,11-12,15-16H2,1H3/t19-/m0/s1
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69n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128364
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(7-methoxy-benzo[b]t...)
Show SMILES COc1cccc2cc(sc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O3S/c1-29-23-7-2-4-18-14-24(31-25(18)23)17-9-12-27(13-10-17)15-19(28)16-30-22-6-3-5-21-20(22)8-11-26-21/h2-8,11,14,17,19,26,28H,9-10,12-13,15-16H2,1H3/t19-/m0/s1
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94n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50128373
PNG
((S)-1-[4-(5-Chloro-benzo[b]thiophen-2-yl)-piperidi...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C24H25ClN2O2S/c25-18-4-5-23-17(12-18)13-24(30-23)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1
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105n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand


Bioorg Med Chem Lett 13: 1903-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00303-2
BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%