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PubMed code 12824042

Compile data set for download or QSAR
Found 64 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


(Rattus norvegicus (rat))
BDBM50130172
PNG
(1-(3-Benzo[b]thiophen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1
Show InChI InChI=1S/C26H28N2O2S/c29-21(16-30-24-6-3-5-23-22(24)10-11-27-23)15-28-19-8-9-20(28)13-18(12-19)26-14-17-4-1-2-7-25(17)31-26/h1-7,10-11,14,18-21,27,29H,8-9,12-13,15-16H2/t18-,19-,20+,21-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130170
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methox...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H30N2O3S/c1-31-24-5-3-7-26-22(24)14-27(33-26)17-12-18-8-9-19(13-17)29(18)15-20(30)16-32-25-6-2-4-23-21(25)10-11-28-23/h2-7,10-11,14,17-20,28,30H,8-9,12-13,15-16H2,1H3/t17-,18-,19+,20-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130163
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130152
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130173
PNG
((S)-1-[(4S,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130168
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130157
PNG
((S)-1-((4S,6R)-4-Benzo[b]thiophen-2-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C25H28N2O2S/c1-17-13-19(25-14-18-5-2-3-8-24(18)30-25)10-12-27(17)15-20(28)16-29-23-7-4-6-22-21(23)9-11-26-22/h2-9,11,14,17,19-20,26,28H,10,12-13,15-16H2,1H3/t17-,19+,20-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130169
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(5-chloroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130162
PNG
((S)-1-[(4S,6R)-4-(4-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-12-17(25-13-20-21(26)4-2-7-24(20)31-25)9-11-28(16)14-18(29)15-30-23-6-3-5-22-19(23)8-10-27-22/h2-8,10,13,16-18,27,29H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130164
PNG
((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...)
Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130159
PNG
((S)-1-[(4R,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20+/m1/s1
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0.990n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130154
PNG
((S)-1-[(4S,6R)-4-(6-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130167
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(6-methoxy-b...)
Show SMILES COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-12-19(25-13-18-6-7-21(30-2)14-26(18)32-25)9-11-28(17)15-20(29)16-31-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,13-14,17,19-20,27,29H,9,11-12,15-16H2,1-2H3/t17-,19+,20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130165
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130171
PNG
((S)-1-[(4S,6R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(25-13-20-21(26)4-2-7-24(20)31-25)9-11-28(16)14-18(29)15-30-23-6-3-5-22-19(23)8-10-27-22/h2-8,10,13,16-18,27,29H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130164
PNG
((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...)
Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Rattus norvegicus (rat))
BDBM50130170
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methox...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H30N2O3S/c1-31-24-5-3-7-26-22(24)14-27(33-26)17-12-18-8-9-19(13-17)29(18)15-20(30)16-32-25-6-2-4-23-21(25)10-11-28-23/h2-7,10-11,14,17-20,28,30H,8-9,12-13,15-16H2,1H3/t17-,18-,19+,20-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130161
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130160
PNG
((S)-1-[(4R,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130153
PNG
((S)-1-[(4S,6R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cc(C)cc2s1
Show InChI InChI=1S/C27H32N2O2S/c1-17-11-18(2)23-14-26(32-27(23)12-17)20-8-10-29(19(3)13-20)15-21(30)16-31-25-6-4-5-24-22(25)7-9-28-24/h4-7,9,11-12,14,19-21,28,30H,8,10,13,15-16H2,1-3H3/t19-,20+,21-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130156
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(6-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(C)cc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-6-7-19-14-26(31-25(19)12-17)20-9-11-28(18(2)13-20)15-21(29)16-30-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,12,14,18,20-21,27,29H,9,11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130163
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130161
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130167
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(6-methoxy-b...)
Show SMILES COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-12-19(25-13-18-6-7-21(30-2)14-26(18)32-25)9-11-28(17)15-20(29)16-31-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,13-14,17,19-20,27,29H,9,11-12,15-16H2,1-2H3/t17-,19+,20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130157
PNG
((S)-1-((4S,6R)-4-Benzo[b]thiophen-2-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C25H28N2O2S/c1-17-13-19(25-14-18-5-2-3-8-24(18)30-25)10-12-27(17)15-20(28)16-29-23-7-4-6-22-21(23)9-11-26-22/h2-9,11,14,17,19-20,26,28H,10,12-13,15-16H2,1H3/t17-,19+,20-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130157
PNG
((S)-1-((4S,6R)-4-Benzo[b]thiophen-2-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C25H28N2O2S/c1-17-13-19(25-14-18-5-2-3-8-24(18)30-25)10-12-27(17)15-20(28)16-29-23-7-4-6-22-21(23)9-11-26-22/h2-9,11,14,17,19-20,26,28H,10,12-13,15-16H2,1H3/t17-,19+,20-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130160
PNG
((S)-1-[(4R,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130166
PNG
((S)-1-[(4S,6R)-4-(7-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(24-13-18-4-2-5-21(26)25(18)31-24)9-11-28(16)14-19(29)15-30-23-7-3-6-22-20(23)8-10-27-22/h2-8,10,13,16-17,19,27,29H,9,11-12,14-15H2,1H3/t16-,17+,19-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130155
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(cccc2s1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2S/c1-16-12-17(25-13-20-21(26(27,28)29)4-2-7-24(20)34-25)9-11-31(16)14-18(32)15-33-23-6-3-5-22-19(23)8-10-30-22/h2-8,10,13,16-18,30,32H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130163
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130151
PNG
((S)-1-[(4S,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130166
PNG
((S)-1-[(4S,6R)-4-(7-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(24-13-18-4-2-5-21(26)25(18)31-24)9-11-28(16)14-19(29)15-30-23-7-3-6-22-20(23)8-10-27-22/h2-8,10,13,16-17,19,27,29H,9,11-12,14-15H2,1H3/t16-,17+,19-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130171
PNG
((S)-1-[(4S,6R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(25-13-20-21(26)4-2-7-24(20)31-25)9-11-28(16)14-18(29)15-30-23-6-3-5-22-19(23)8-10-27-22/h2-8,10,13,16-18,27,29H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130169
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(5-chloroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130152
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130173
PNG
((S)-1-[(4S,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130173
PNG
((S)-1-[(4S,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130168
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130152
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130169
PNG
((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(5-chloroben...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130165
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130165
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130160
PNG
((S)-1-[(4R,6R)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20+/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130168
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130164
PNG
((S)-1-[(4S,6R)-4-(4,5-Dimethoxy-benzo[b]thiophen-2...)
Show SMILES COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(26-14-21-25(34-26)8-7-24(31-2)27(21)32-3)10-12-29(17)15-19(30)16-33-23-6-4-5-22-20(23)9-11-28-22/h4-9,11,14,17-19,28,30H,10,12-13,15-16H2,1-3H3/t17-,18+,19-/m0/s1
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130159
PNG
((S)-1-[(4R,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20+/m1/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130154
PNG
((S)-1-[(4S,6R)-4-(6-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130158
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130158
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130167
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(6-methoxy-b...)
Show SMILES COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-12-19(25-13-18-6-7-21(30-2)14-26(18)32-25)9-11-28(17)15-20(29)16-31-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,13-14,17,19-20,27,29H,9,11-12,15-16H2,1-2H3/t17-,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
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130171
PNG
((S)-1-[(4S,6R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(25-13-20-21(26)4-2-7-24(20)31-25)9-11-28(16)14-18(29)15-30-23-6-3-5-22-19(23)8-10-27-22/h2-8,10,13,16-18,27,29H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50130161
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6R)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19+/m1/s1
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity of the compound at the 5-HT reuptake site using [3H]-paroxetine as radioligand in rat frontal cortex membranes


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130158
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6S)-4-(4-methoxy-b...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130151
PNG
((S)-1-[(4S,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20-/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130170
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methox...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H30N2O3S/c1-31-24-5-3-7-26-22(24)14-27(33-26)17-12-18-8-9-19(13-17)29(18)15-20(30)16-32-25-6-2-4-23-21(25)10-11-28-23/h2-7,10-11,14,17-20,28,30H,8-9,12-13,15-16H2,1H3/t17-,18-,19+,20-/m0/s1
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130159
PNG
((S)-1-[(4R,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20+/m1/s1
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17n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130170
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methox...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H30N2O3S/c1-31-24-5-3-7-26-22(24)14-27(33-26)17-12-18-8-9-19(13-17)29(18)15-20(30)16-32-25-6-2-4-23-21(25)10-11-28-23/h2-7,10-11,14,17-20,28,30H,8-9,12-13,15-16H2,1H3/t17-,18-,19+,20-/m0/s1
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19n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130166
PNG
((S)-1-[(4S,6R)-4-(7-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-12-17(24-13-18-4-2-5-21(26)25(18)31-24)9-11-28(16)14-19(29)15-30-23-7-3-6-22-20(23)8-10-27-22/h2-8,10,13,16-17,19,27,29H,9,11-12,14-15H2,1H3/t16-,17+,19-/m0/s1
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22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130155
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(cccc2s1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O2S/c1-16-12-17(25-13-20-21(26(27,28)29)4-2-7-24(20)34-25)9-11-31(16)14-18(32)15-33-23-6-3-5-22-19(23)8-10-30-22/h2-8,10,13,16-18,30,32H,9,11-12,14-15H2,1H3/t16-,17+,18-/m0/s1
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130154
PNG
((S)-1-[(4S,6R)-4-(6-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1
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25n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130172
PNG
(1-(3-Benzo[b]thiophen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1
Show InChI InChI=1S/C26H28N2O2S/c29-21(16-30-24-6-3-5-23-22(24)10-11-27-23)15-28-19-8-9-20(28)13-18(12-19)26-14-17-4-1-2-7-25(17)31-26/h1-7,10-11,14,18-21,27,29H,8-9,12-13,15-16H2/t18-,19-,20+,21-/m0/s1
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31n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130151
PNG
((S)-1-[(4S,6S)-4-(5-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17-,20-/m0/s1
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130172
PNG
(1-(3-Benzo[b]thiophen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1
Show InChI InChI=1S/C26H28N2O2S/c29-21(16-30-24-6-3-5-23-22(24)10-11-27-23)15-28-19-8-9-20(28)13-18(12-19)26-14-17-4-1-2-7-25(17)31-26/h1-7,10-11,14,18-21,27,29H,8-9,12-13,15-16H2/t18-,19-,20+,21-/m0/s1
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70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-HT induced [35S]-GTP-gammaS, binding at human cloned 5-HT 1A receptors.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130153
PNG
((S)-1-[(4S,6R)-4-(4,6-Dimethyl-benzo[b]thiophen-2-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cc(C)cc2s1
Show InChI InChI=1S/C27H32N2O2S/c1-17-11-18(2)23-14-26(32-27(23)12-17)20-8-10-29(19(3)13-20)15-21(30)16-31-25-6-4-5-24-22(25)7-9-28-24/h4-7,9,11-12,14,19-21,28,30H,8,10,13,15-16H2,1-3H3/t19-,20+,21-/m0/s1
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95n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


Bioorg Med Chem Lett 13: 2393-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00392-5
BindingDB Entry DOI: 10.7270/Q2Z31Z1R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%