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Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'ahmad' and Initial = 'lj'   
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))
BDBM50135254
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(1S,3R,5R)-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
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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))
BDBM50135249
PNG
((S)-1-((2S,4R)-4-(5-fluorobenzo[b]thiophen-2-yl)-2...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-18(11-17(29)2)26-13-19-12-20(27)6-7-25(19)32-26/h3-7,10,12-13,17-18,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,18+,21-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(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


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(Rattus norvegicus (rat))
BDBM50135248
PNG
(4-{(S)-2-Hydroxy-3-[(1R,3S,5S)-3-(4-methoxy-benzo[...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(cc12)C(N)=O
Show InChI InChI=1S/C28H31N3O4S/c1-34-24-5-3-7-26-21(24)13-27(36-26)16-10-17-8-9-18(11-16)31(17)14-19(32)15-35-25-6-2-4-22-20(25)12-23(30-22)28(29)33/h2-7,12-13,16-19,30,32H,8-11,14-15H2,1H3,(H2,29,33)/t16-,17-,18+,19-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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))
BDBM50135244
PNG
((S)-1-[(2S,4R)-4-(6-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-19(11-17(29)2)25-12-18-6-7-20(27)13-26(18)32-25/h3-7,10,12-13,17,19,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,19+,21-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(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))
BDBM50135253
PNG
((S)-1-[(1S,3R,5R)-3-(4-Methoxy-benzo[b]thiophen-2-...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12
Show InChI InChI=1S/C28H32N2O3S/c1-17-11-22-24(29-17)5-3-7-26(22)33-16-21(31)15-30-19-9-10-20(30)13-18(12-19)28-14-23-25(32-2)6-4-8-27(23)34-28/h3-8,11,14,18-21,29,31H,9-10,12-13,15-16H2,1-2H3/t18-,19+,20-,21-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
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


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(Rattus norvegicus (rat))
BDBM50135263
PNG
(4-{(S)-2-Hydroxy-3-[(2S,4R)-4-(4-methoxy-benzo[b]t...)
Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@@H](C)C1
Show InChI InChI=1S/C27H31N3O4S/c1-16-11-17(26-13-20-23(33-2)6-4-8-25(20)35-26)9-10-30(16)14-18(31)15-34-24-7-3-5-21-19(24)12-22(29-21)27(28)32/h3-8,12-13,16-18,29,31H,9-11,14-15H2,1-2H3,(H2,28,32)/t16-,17+,18-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(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))
BDBM50135238
PNG
((S)-1-(2-Methyl-1H-indol-4-yloxy)-3-[(2S,4R)-2-met...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cccc2s1
Show InChI InChI=1S/C27H32N2O2S/c1-17-6-4-9-26-22(17)14-27(32-26)20-10-11-29(19(3)13-20)15-21(30)16-31-25-8-5-7-24-23(25)12-18(2)28-24/h4-9,12,14,19-21,28,30H,10-11,13,15-16H2,1-3H3/t19-,20+,21-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50135266
PNG
((S)-1-[(1R,3S,5S)-3-(4-Methoxy-benzo[b]thiophen-2-...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12
Show InChI InChI=1S/C28H32N2O3S/c1-17-11-22-24(29-17)5-3-7-26(22)33-16-21(31)15-30-19-9-10-20(30)13-18(12-19)28-14-23-25(32-2)6-4-8-27(23)34-28/h3-8,11,14,18-21,29,31H,9-10,12-13,15-16H2,1-2H3/t18-,19-,20+,21-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50135265
PNG
((S)-1-[(2S,4R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)6-4-7-24(21)31-15-19(30)14-29-10-9-18(12-17(29)2)26-13-20-22(27)5-3-8-25(20)32-26/h3-8,11,13,17-19,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,19-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(Rattus norvegicus (rat))
BDBM50135265
PNG
((S)-1-[(2S,4R)-4-(4-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)6-4-7-24(21)31-15-19(30)14-29-10-9-18(12-17(29)2)26-13-20-22(27)5-3-8-25(20)32-26/h3-8,11,13,17-19,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,19-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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))
BDBM50135242
PNG
((S)-1-[(2S,4R)-4-(5-Chloro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(Cl)ccc2s1
Show InChI InChI=1S/C26H29ClN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-18(11-17(29)2)26-13-19-12-20(27)6-7-25(19)32-26/h3-7,10,12-13,17-18,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,18+,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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
5-hydroxytryptamine receptor 1A


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
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))
BDBM50135259
PNG
(4-{(S)-2-Hydroxy-3-[(2R,4S)-4-(4-methoxy-benzo[b]t...)
Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
Show InChI InChI=1S/C27H31N3O4S/c1-16-11-17(26-13-20-23(33-2)6-4-8-25(20)35-26)9-10-30(16)14-18(31)15-34-24-7-3-5-21-19(24)12-22(29-21)27(28)32/h3-8,12-13,16-18,29,31H,9-11,14-15H2,1-2H3,(H2,28,32)/t16-,17+,18+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(Rattus norvegicus (rat))
BDBM50135237
PNG
((S)-1-(2-Methyl-1H-indol-4-yloxy)-3-[(2S,4R)-2-met...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(C)cc2s1
Show InChI InChI=1S/C27H32N2O2S/c1-17-7-8-20-14-27(32-26(20)11-17)21-9-10-29(19(3)13-21)15-22(30)16-31-25-6-4-5-24-23(25)12-18(2)28-24/h4-8,11-12,14,19,21-22,28,30H,9-10,13,15-16H2,1-3H3/t19-,21+,22-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50135255
PNG
((S)-1-[(2S,4R)-4-(7-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)7-4-8-24(21)31-15-20(30)14-29-10-9-18(12-17(29)2)25-13-19-5-3-6-22(27)26(19)32-25/h3-8,11,13,17-18,20,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,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
Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50135255
PNG
((S)-1-[(2S,4R)-4-(7-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-11-21-23(28-16)7-4-8-24(21)31-15-20(30)14-29-10-9-18(12-17(29)2)25-13-19-5-3-6-22(27)26(19)32-25/h3-8,11,13,17-18,20,28,30H,9-10,12,14-15H2,1-2H3/t17-,18+,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
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
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))
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
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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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes


Bioorg Med Chem Lett 13: 3939-42 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.002
BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


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



Lilly Research Laboratories

Curated by ChEMBL


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


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


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


(Homo sapiens (human))
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
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