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Compile Data Set for Download or QSAR

Found 184 hits Enz. Inhib. hit(s) with all data for entry = 50011107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102331
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H26N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14H,8-13H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102352
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-hydroxy-phe...)
Show SMILES Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H24N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,23H,7-12H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102333
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9,19,24H,10-15H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102364
PNG
(3-(4-(4-chlorophenyl)piperazin-1-yl)-1-(naphthalen...)
Show SMILES OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25ClN2O/c24-21-7-9-22(10-8-21)26-15-13-25(14-16-26)12-11-23(27)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17,23,27H,11-16H2
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102371
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14H,8-13H2,1H3
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10n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102362
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-p...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15,20,26H,8-13H2,1H3
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12n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102412
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
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12n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102386
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(4-fluoro-2-me...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H25FN2O2S/c1-14-12-17(15(2)26-14)19(24)6-7-22-8-10-23(11-9-22)18-5-4-16(21)13-20(18)25-3/h4-5,12-13H,6-11H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102337
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
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16n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102350
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(5-methylt...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H24N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8H,9-14H2,1-2H3
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17.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102374
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-25-20-10-6-5-9-19(20)23-15-13-22(14-16-23)12-11-18(21-24)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
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17.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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18n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102355
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-17-6-3-2-5-15(17)20-12-10-19(11-13-20)9-8-16(21)18-7-4-14-23-18/h2-7,14,16,21H,8-13H2,1H3
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19n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102380
PNG
(1-(3-(benzo[d][1,3]dioxol-5-yloxy)-3-phenylpropyl)...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O4/c1-30-25-10-6-5-9-23(25)29-17-15-28(16-18-29)14-13-24(21-7-3-2-4-8-21)33-22-11-12-26-27(19-22)32-20-31-26/h2-12,19,24H,13-18,20H2,1H3
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20n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102384
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H26N2O2S/c1-15-7-8-19(24-15)17(22)9-10-20-11-13-21(14-12-20)16-5-3-4-6-18(16)23-2/h3-8,17,22H,9-14H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102373
PNG
(3-(4-(naphthalen-1-yl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C21H22N2OS/c24-21(18-9-15-25-16-18)8-10-22-11-13-23(14-12-22)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,9,15-16H,8,10-14H2
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35n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102357
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(4-chloro-2-methoxy-p...)
Show SMILES COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25ClN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15,20,26H,8-13H2,1H3
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35n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102330
PNG
(2-(4-(3-(benzo[b]thiophen-3-yl)-3-hydroxypropyl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
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39n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102338
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H24N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16H,10-15H2,1H3
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44n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102395
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
Show InChI InChI=1S/C20H26N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10,19,23H,11-16H2,1H3
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47.5n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102390
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(4-chlorophenyl)pip...)
Show SMILES OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1csc2ccccc12
Show InChI InChI=1S/C21H23ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15,20,25H,9-14H2
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102389
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H23N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9H,10-15H2,1H3
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102376
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
Show InChI InChI=1S/C18H24N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102354
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-phenylprop...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102383
PNG
(1-Phenyl-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-...)
Show SMILES O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2
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50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102402
PNG
(1-(3-(benzo[d][1,3]dioxol-5-yloxy)-3-(thiophen-3-y...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccsc2)CC1
Show InChI InChI=1S/C25H28N2O4S/c1-28-23-5-3-2-4-21(23)27-13-11-26(12-14-27)10-8-22(19-9-15-32-17-19)31-20-6-7-24-25(16-20)30-18-29-24/h2-7,9,15-17,22H,8,10-14,18H2,1H3
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55n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102405
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25N3O2S/c1-27-21-8-4-3-7-20(21)25-14-12-24(13-15-25)11-10-19(23-26)18-16-28-22-9-5-2-6-17(18)22/h2-9,16,19H,10-15H2,1H3
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60n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102348
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-thiophen-...)
Show SMILES Clc1ccc(cc1)N1CCN(CCC(=O)c2cccs2)CC1
Show InChI InChI=1S/C17H19ClN2OS/c18-14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(21)17-2-1-13-22-17/h1-6,13H,7-12H2
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60n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102339
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H25N3O2S/c1-15-7-8-19(25-15)16(20-23)9-10-21-11-13-22(14-12-21)17-5-3-4-6-18(17)24-2/h3-8,16H,9-14H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102339
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H25N3O2S/c1-15-7-8-19(25-15)16(20-23)9-10-21-11-13-22(14-12-21)17-5-3-4-6-18(17)24-2/h3-8,16H,9-14H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102345
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H27N3O2S/c1-15-14-17(16(2)26-15)18(21-24)8-9-22-10-12-23(13-11-22)19-6-4-5-7-20(19)25-3/h4-7,14,18H,8-13H2,1-3H3
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85n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102342
PNG
(2-(4-(3-(2,5-dimethylthiophen-3-yl)-3-hydroxypropy...)
Show SMILES Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
Show InChI InChI=1S/C19H26N2O2S/c1-14-13-16(15(2)24-14)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23/h3-6,13,18,22-23H,7-12H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102365
PNG
(1-(3-(4-methoxyphenoxy)-3-phenylpropyl)-4-(2-metho...)
Show SMILES COc1ccc(OC(CCN2CCN(CC2)c2ccccc2OC)c2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O3/c1-30-23-12-14-24(15-13-23)32-26(22-8-4-3-5-9-22)16-17-28-18-20-29(21-19-28)25-10-6-7-11-27(25)31-2/h3-15,26H,16-21H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102405
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H25N3O2S/c1-27-21-8-4-3-7-20(21)25-14-12-24(13-15-25)11-10-19(23-26)18-16-28-22-9-5-2-6-17(18)22/h2-9,16,19H,10-15H2,1H3
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95n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102343
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-(4-naphthalen-1-y...)
Show SMILES Cc1cc(C(=O)CCN2CCN(CC2)c2cccc3ccccc23)c(C)s1
Show InChI InChI=1S/C23H26N2OS/c1-17-16-21(18(2)27-17)23(26)10-11-24-12-14-25(15-13-24)22-9-5-7-19-6-3-4-8-20(19)22/h3-9,16H,10-15H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102328
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)pi...)
Show SMILES O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H24N2OS/c28-24(22-18-29-25-11-4-3-9-21(22)25)12-13-26-14-16-27(17-15-26)23-10-5-7-19-6-1-2-8-20(19)23/h1-11,18H,12-17H2
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100n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102338
PNG
(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H24N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16H,10-15H2,1H3
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105n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102410
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-hydroxyphenyl)pi...)
Show SMILES Oc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C21H22N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,25H,9-14H2
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110n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102337
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
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112n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102351
PNG
(3-(4-(2-chlorophenyl)piperazin-1-yl)-1-phenylpropa...)
Show SMILES OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C19H23ClN2O/c20-17-8-4-5-9-18(17)22-14-12-21(13-15-22)11-10-19(23)16-6-2-1-3-7-16/h1-9,19,23H,10-15H2
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115n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102412
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
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115n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102396
PNG
(1-Phenyl-3-(4-pyrimidin-2-yl-piperazin-1-yl)-propa...)
Show SMILES O=C(CCN1CCN(CC1)c1ncccn1)c1ccccc1
Show InChI InChI=1S/C17H20N4O/c22-16(15-5-2-1-3-6-15)7-10-20-11-13-21(14-12-20)17-18-8-4-9-19-17/h1-6,8-9H,7,10-14H2
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120n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102339
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methy...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C19H25N3O2S/c1-15-7-8-19(25-15)16(20-23)9-10-21-11-13-22(14-12-21)17-5-3-4-6-18(17)24-2/h3-8,16H,9-14H2,1-2H3
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130n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102345
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H27N3O2S/c1-15-14-17(16(2)26-15)18(21-24)8-9-22-10-12-23(13-11-22)19-6-4-5-7-20(19)25-3/h4-7,14,18H,8-13H2,1-3H3
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130n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50102406
PNG
(3-(4-(4-fluorophenyl)piperazin-1-yl)-1-phenylpropa...)
Show SMILES OC(CCN1CCN(CC1)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C19H23FN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
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145n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102346
PNG
(1-(2-Methoxy-phenyl)-4-[3-(naphthalen-1-yloxy)-3-t...)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
Show InChI InChI=1S/C28H30N2O2S/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27/h2-12,14,20-21,26H,13,15-19H2,1H3
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150n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50102359
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O2S/c1-26-21-8-4-3-7-19(21)24-14-12-23(13-15-24)11-10-20(25)18-16-27-22-9-5-2-6-17(18)22/h2-9,16,20,25H,10-15H2,1H3
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150n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Affinity of the compound at dopamine D2 receptor from rat striatum using [3H]-spiroperidol as radioligand (For haloperidol Ki(nM)= 1.5+/-1.2)


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
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