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PubMed code 16332439

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178593
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isopropyl-3,4-dih...)
Show SMILES CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C22H26FN3O/c1-15(2)26-14-18(27-22-6-4-3-5-21(22)26)13-24-10-9-16-12-25-20-8-7-17(23)11-19(16)20/h3-8,11-12,15,18,24-25H,9-10,13-14H2,1-2H3
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 2.81n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178598
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((8-methoxy-3,4-dihyd...)
Show SMILES COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
Show InChI InChI=1S/C20H22FN3O2/c1-25-19-4-2-3-18-20(19)26-15(12-24-18)11-22-8-7-13-10-23-17-6-5-14(21)9-16(13)17/h2-6,9-10,15,22-24H,7-8,11-12H2,1H3
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 3.13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178596
PNG
(2-(1H-indol-3-yl)-N-((4-methyl-3,4-dihydro-2H-benz...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C20H23N3O/c1-23-14-16(24-20-9-5-4-8-19(20)23)13-21-11-10-15-12-22-18-7-3-2-6-17(15)18/h2-9,12,16,21-22H,10-11,13-14H2,1H3
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 5.86n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178602
PNG
(CHEMBL380342 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
Show InChI InChI=1S/C19H21N3O/c1-2-6-17-16(5-1)14(11-21-17)9-10-20-12-15-13-22-18-7-3-4-8-19(18)23-15/h1-8,11,15,20-22H,9-10,12-13H2
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 6.91n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178589
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
Show InChI InChI=1S/C23H24FN3O2/c1-28-22-4-2-3-21-23(22)29-17(12-25-21)14-27-9-7-15(8-10-27)19-13-26-20-6-5-16(24)11-18(19)20/h2-7,11,13,17,25-26H,8-10,12,14H2,1H3
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 6.94n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178607
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-phenyl-3,4-dihydr...)
Show SMILES Fc1ccc2[nH]cc(CCNCC3CN(c4ccccc4)c4ccccc4O3)c2c1
Show InChI InChI=1S/C25H24FN3O/c26-19-10-11-23-22(14-19)18(15-28-23)12-13-27-16-21-17-29(20-6-2-1-3-7-20)24-8-4-5-9-25(24)30-21/h1-11,14-15,21,27-28H,12-13,16-17H2
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 7.14n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178608
PNG
(CHEMBL380655 | N-((4-benzyl-3,4-dihydro-2H-benzo[b...)
Show SMILES Fc1ccc2[nH]cc(CCNCC3CN(Cc4ccccc4)c4ccccc4O3)c2c1
Show InChI InChI=1S/C26H26FN3O/c27-21-10-11-24-23(14-21)20(15-29-24)12-13-28-16-22-18-30(17-19-6-2-1-3-7-19)25-8-4-5-9-26(25)31-22/h1-11,14-15,22,28-29H,12-13,16-18H2
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 7.25n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178594
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isobutyl-3,4-dihy...)
Show SMILES CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c1-16(2)14-27-15-19(28-23-6-4-3-5-22(23)27)13-25-10-9-17-12-26-21-8-7-18(24)11-20(17)21/h3-8,11-12,16,19,25-26H,9-10,13-15H2,1-2H3
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 8.15n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178600
PNG
(2-((4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)...)
Show SMILES C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
Show InChI InChI=1S/C22H23N3O/c1-2-6-20-18(5-1)19(14-24-20)16-9-11-25(12-10-16)15-17-13-23-21-7-3-4-8-22(21)26-17/h1-9,14,17,23-24H,10-13,15H2
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 8.37n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178588
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-methyl-3,4-dihydr...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C20H22FN3O/c1-24-13-16(25-20-5-3-2-4-19(20)24)12-22-9-8-14-11-23-18-7-6-15(21)10-17(14)18/h2-7,10-11,16,22-23H,8-9,12-13H2,1H3
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 8.46n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178598
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((8-methoxy-3,4-dihyd...)
Show SMILES COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
Show InChI InChI=1S/C20H22FN3O2/c1-25-19-4-2-3-18-20(19)26-15(12-24-18)11-22-8-7-13-10-23-17-6-5-14(21)9-16(13)17/h2-6,9-10,15,22-24H,7-8,11-12H2,1H3
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 9.31n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178592
PNG
(CHEMBL410273 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
Show InChI InChI=1S/C19H20FN3O/c20-14-5-6-17-16(9-14)13(10-22-17)7-8-21-11-15-12-23-18-3-1-2-4-19(18)24-15/h1-6,9-10,15,21-23H,7-8,11-12H2
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 11.0n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178590
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((7-methoxy-3,4-dihyd...)
Show SMILES COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
Show InChI InChI=1S/C20H22FN3O2/c1-25-15-3-5-19-20(9-15)26-16(12-24-19)11-22-7-6-13-10-23-18-4-2-14(21)8-17(13)18/h2-5,8-10,16,22-24H,6-7,11-12H2,1H3
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 11.7n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178588
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-methyl-3,4-dihydr...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C20H22FN3O/c1-24-13-16(25-20-5-3-2-4-19(20)24)12-22-9-8-14-11-23-18-7-6-15(21)10-17(14)18/h2-7,10-11,16,22-23H,8-9,12-13H2,1H3
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 12.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178591
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
Show InChI InChI=1S/C24H26FN3O2/c1-27-14-18(30-24-22(27)4-3-5-23(24)29-2)15-28-10-8-16(9-11-28)20-13-26-21-7-6-17(25)12-19(20)21/h3-8,12-13,18,26H,9-11,14-15H2,1-2H3
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 12.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178597
PNG
(2-(1H-indol-3-yl)-N-((4-propyl-3,4-dihydro-2H-benz...)
Show SMILES CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-2-13-25-16-18(26-22-10-6-5-9-21(22)25)15-23-12-11-17-14-24-20-8-4-3-7-19(17)20/h3-10,14,18,23-24H,2,11-13,15-16H2,1H3
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 12.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178601
PNG
(4-ethyl-2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydro...)
Show SMILES CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
Show InChI InChI=1S/C25H28FN3O2/c1-3-29-16-19(31-25-23(29)5-4-6-24(25)30-2)15-28-11-9-17(10-12-28)21-14-27-22-8-7-18(26)13-20(21)22/h4-9,13-14,19,27H,3,10-12,15-16H2,1-2H3
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 13.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178587
PNG
(CHEMBL206644 | N-((4-ethyl-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C21H24FN3O/c1-2-25-14-17(26-21-6-4-3-5-20(21)25)13-23-10-9-15-12-24-19-8-7-16(22)11-18(15)19/h3-8,11-12,17,23-24H,2,9-10,13-14H2,1H3
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 15.3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178587
PNG
(CHEMBL206644 | N-((4-ethyl-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C21H24FN3O/c1-2-25-14-17(26-21-6-4-3-5-20(21)25)13-23-10-9-15-12-24-19-8-7-16(22)11-18(15)19/h3-8,11-12,17,23-24H,2,9-10,13-14H2,1H3
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 15.3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178592
PNG
(CHEMBL410273 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
Show InChI InChI=1S/C19H20FN3O/c20-14-5-6-17-16(9-14)13(10-22-17)7-8-21-11-15-12-23-18-3-1-2-4-19(18)24-15/h1-6,9-10,15,21-23H,7-8,11-12H2
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 16.0n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178593
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isopropyl-3,4-dih...)
Show SMILES CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C22H26FN3O/c1-15(2)26-14-18(27-22-6-4-3-5-21(22)26)13-24-10-9-16-12-25-20-8-7-17(23)11-19(16)20/h3-8,11-12,15,18,24-25H,9-10,13-14H2,1-2H3
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 21.1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178595
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
Show InChI InChI=1S/C26H30FN3O2/c1-3-11-30-17-20(32-26-24(30)5-4-6-25(26)31-2)16-29-12-9-18(10-13-29)22-15-28-23-8-7-19(27)14-21(22)23/h4-9,14-15,20,28H,3,10-13,16-17H2,1-2H3
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 22.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178597
PNG
(2-(1H-indol-3-yl)-N-((4-propyl-3,4-dihydro-2H-benz...)
Show SMILES CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-2-13-25-16-18(26-22-10-6-5-9-21(22)25)15-23-12-11-17-14-24-20-8-4-3-7-19(17)20/h3-10,14,18,23-24H,2,11-13,15-16H2,1H3
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 22.7n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178606
PNG
(3-(1H-indol-3-yl)-N-((4-isopropyl-3,4-dihydro-2H-b...)
Show SMILES CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)26-16-19(27-23-12-6-5-11-22(23)26)15-24-13-7-8-18-14-25-21-10-4-3-9-20(18)21/h3-6,9-12,14,17,19,24-25H,7-8,13,15-16H2,1-2H3
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 23.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178603
PNG
(2-(1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benz...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCC1CN(c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C25H25N3O/c1-2-8-20(9-3-1)28-18-21(29-25-13-7-6-12-24(25)28)17-26-15-14-19-16-27-23-11-5-4-10-22(19)23/h1-13,16,21,26-27H,14-15,17-18H2
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 30.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178605
PNG
(CHEMBL382857 | N-((7-chloro-4-methyl-3,4-dihydro-2...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C20H21ClFN3O/c1-25-12-16(26-20-8-14(21)2-5-19(20)25)11-23-7-6-13-10-24-18-4-3-15(22)9-17(13)18/h2-5,8-10,16,23-24H,6-7,11-12H2,1H3
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 42.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178594
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isobutyl-3,4-dihy...)
Show SMILES CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c1-16(2)14-27-15-19(28-23-6-4-3-5-22(23)27)13-25-10-9-17-12-26-21-8-7-18(24)11-20(17)21/h3-8,11-12,16,19,25-26H,9-10,13-15H2,1-2H3
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 51.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178605
PNG
(CHEMBL382857 | N-((7-chloro-4-methyl-3,4-dihydro-2...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C20H21ClFN3O/c1-25-12-16(26-20-8-14(21)2-5-19(20)25)11-23-7-6-13-10-24-18-4-3-15(22)9-17(13)18/h2-5,8-10,16,23-24H,6-7,11-12H2,1H3
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 75.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178604
PNG
(3-(1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benz...)
Show SMILES C(CNCC1CN(c2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-2-10-21(11-3-1)29-19-22(30-26-15-7-6-14-25(26)29)18-27-16-8-9-20-17-28-24-13-5-4-12-23(20)24/h1-7,10-15,17,22,27-28H,8-9,16,18-19H2
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 75.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178599
PNG
(CHEMBL381542 | N-((4-benzyl-3,4-dihydro-2H-benzo[b...)
Show SMILES C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N3O/c1-2-9-21(10-3-1)19-30-20-23(31-27-15-7-6-14-26(27)30)18-28-16-8-11-22-17-29-25-13-5-4-12-24(22)25/h1-7,9-10,12-15,17,23,28-29H,8,11,16,18-20H2
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 76.1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178596
PNG
(2-(1H-indol-3-yl)-N-((4-methyl-3,4-dihydro-2H-benz...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C20H23N3O/c1-23-14-16(24-20-9-5-4-8-19(20)23)13-21-11-10-15-12-22-18-7-3-2-6-17(15)18/h2-9,12,16,21-22H,10-11,13-14H2,1H3
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 88.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178602
PNG
(CHEMBL380342 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
Show InChI InChI=1S/C19H21N3O/c1-2-6-17-16(5-1)14(11-21-17)9-10-20-12-15-13-22-18-7-3-4-8-19(18)23-15/h1-8,11,15,20-22H,9-10,12-13H2
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 89.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178606
PNG
(3-(1H-indol-3-yl)-N-((4-isopropyl-3,4-dihydro-2H-b...)
Show SMILES CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)26-16-19(27-23-12-6-5-11-22(23)26)15-24-13-7-8-18-14-25-21-10-4-3-9-20(18)21/h3-6,9-12,14,17,19,24-25H,7-8,13,15-16H2,1-2H3
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 90.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178590
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((7-methoxy-3,4-dihyd...)
Show SMILES COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
Show InChI InChI=1S/C20H22FN3O2/c1-25-15-3-5-19-20(9-15)26-16(12-24-19)11-22-7-6-13-10-23-18-4-2-14(21)8-17(13)18/h2-5,8-10,16,22-24H,6-7,11-12H2,1H3
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 103n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50178599
PNG
(CHEMBL381542 | N-((4-benzyl-3,4-dihydro-2H-benzo[b...)
Show SMILES C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N3O/c1-2-9-21(10-3-1)19-30-20-23(31-27-15-7-6-14-26(27)30)18-28-16-8-11-22-17-29-25-13-5-4-12-24(22)25/h1-7,9-10,12-15,17,23,28-29H,8,11,16,18-20H2
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 109n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178601
PNG
(4-ethyl-2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydro...)
Show SMILES CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
Show InChI InChI=1S/C25H28FN3O2/c1-3-29-16-19(31-25-23(29)5-4-6-24(25)30-2)15-28-11-9-17(10-12-28)21-14-27-22-8-7-18(26)13-20(21)22/h4-9,13-14,19,27H,3,10-12,15-16H2,1-2H3
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 136n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178591
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
Show InChI InChI=1S/C24H26FN3O2/c1-27-14-18(30-24-22(27)4-3-5-23(24)29-2)15-28-10-8-16(9-11-28)20-13-26-21-7-6-17(25)12-19(20)21/h3-8,12-13,18,26H,9-11,14-15H2,1-2H3
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 140n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178589
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
Show InChI InChI=1S/C23H24FN3O2/c1-28-22-4-2-3-21-23(22)29-17(12-25-21)14-27-9-7-15(8-10-27)19-13-26-20-6-5-16(24)11-18(19)20/h2-7,11,13,17,25-26H,8-10,12,14H2,1H3
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 155n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178595
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
Show InChI InChI=1S/C26H30FN3O2/c1-3-11-30-17-20(32-26-24(30)5-4-6-25(26)31-2)16-29-12-9-18(10-13-29)22-15-28-23-8-7-19(27)14-21(22)23/h4-9,14-15,20,28H,3,10-13,16-17H2,1-2H3
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 363n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178600
PNG
(2-((4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)...)
Show SMILES C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
Show InChI InChI=1S/C22H23N3O/c1-2-6-20-18(5-1)19(14-24-20)16-9-11-25(12-10-16)15-17-13-23-21-7-3-4-8-22(21)26-17/h1-9,14,17,23-24H,10-13,15H2
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 805n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178599
PNG
(CHEMBL381542 | N-((4-benzyl-3,4-dihydro-2H-benzo[b...)
Show SMILES C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N3O/c1-2-9-21(10-3-1)19-30-20-23(31-27-15-7-6-14-26(27)30)18-28-16-8-11-22-17-29-25-13-5-4-12-24(22)25/h1-7,9-10,12-15,17,23,28-29H,8,11,16,18-20H2
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n/an/an/an/a 1.39E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178587
PNG
(CHEMBL206644 | N-((4-ethyl-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C21H24FN3O/c1-2-25-14-17(26-21-6-4-3-5-20(21)25)13-23-10-9-15-12-24-19-8-7-16(22)11-18(15)19/h3-8,11-12,17,23-24H,2,9-10,13-14H2,1H3
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n/an/an/an/a 90n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178598
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((8-methoxy-3,4-dihyd...)
Show SMILES COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
Show InChI InChI=1S/C20H22FN3O2/c1-25-19-4-2-3-18-20(19)26-15(12-24-18)11-22-8-7-13-10-23-17-6-5-14(21)9-16(13)17/h2-6,9-10,15,22-24H,7-8,11-12H2,1H3
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n/an/an/an/a 52.2n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178602
PNG
(CHEMBL380342 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
Show InChI InChI=1S/C19H21N3O/c1-2-6-17-16(5-1)14(11-21-17)9-10-20-12-15-13-22-18-7-3-4-8-19(18)23-15/h1-8,11,15,20-22H,9-10,12-13H2
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n/an/an/an/a 93.5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178600
PNG
(2-((4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)...)
Show SMILES C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
Show InChI InChI=1S/C22H23N3O/c1-2-6-20-18(5-1)19(14-24-20)16-9-11-25(12-10-16)15-17-13-23-21-7-3-4-8-22(21)26-17/h1-9,14,17,23-24H,10-13,15H2
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n/an/an/an/a 1.13E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178590
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((7-methoxy-3,4-dihyd...)
Show SMILES COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
Show InChI InChI=1S/C20H22FN3O2/c1-25-15-3-5-19-20(9-15)26-16(12-24-19)11-22-7-6-13-10-23-18-4-2-14(21)8-17(13)18/h2-5,8-10,16,22-24H,6-7,11-12H2,1H3
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n/an/an/an/a 182n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178591
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
Show InChI InChI=1S/C24H26FN3O2/c1-27-14-18(30-24-22(27)4-3-5-23(24)29-2)15-28-10-8-16(9-11-28)20-13-26-21-7-6-17(25)12-19(20)21/h3-8,12-13,18,26H,9-11,14-15H2,1-2H3
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n/an/an/an/a 190n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178597
PNG
(2-(1H-indol-3-yl)-N-((4-propyl-3,4-dihydro-2H-benz...)
Show SMILES CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-2-13-25-16-18(26-22-10-6-5-9-21(22)25)15-23-12-11-17-14-24-20-8-4-3-7-19(17)20/h3-10,14,18,23-24H,2,11-13,15-16H2,1H3
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n/an/an/an/a 197n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178596
PNG
(2-(1H-indol-3-yl)-N-((4-methyl-3,4-dihydro-2H-benz...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C20H23N3O/c1-23-14-16(24-20-9-5-4-8-19(20)23)13-21-11-10-15-12-22-18-7-3-2-6-17(15)18/h2-9,12,16,21-22H,10-11,13-14H2,1H3
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n/an/an/an/a 33.6n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178605
PNG
(CHEMBL382857 | N-((7-chloro-4-methyl-3,4-dihydro-2...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
Show InChI InChI=1S/C20H21ClFN3O/c1-25-12-16(26-20-8-14(21)2-5-19(20)25)11-23-7-6-13-10-24-18-4-3-15(22)9-17(13)18/h2-5,8-10,16,23-24H,6-7,11-12H2,1H3
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n/an/an/an/a 336n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178594
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isobutyl-3,4-dihy...)
Show SMILES CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c1-16(2)14-27-15-19(28-23-6-4-3-5-22(23)27)13-25-10-9-17-12-26-21-8-7-18(24)11-20(17)21/h3-8,11-12,16,19,25-26H,9-10,13-15H2,1-2H3
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n/an/an/an/a 329n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178595
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
Show InChI InChI=1S/C26H30FN3O2/c1-3-11-30-17-20(32-26-24(30)5-4-6-25(26)31-2)16-29-12-9-18(10-13-29)22-15-28-23-8-7-19(27)14-21(22)23/h4-9,14-15,20,28H,3,10-13,16-17H2,1-2H3
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n/an/an/an/a 135n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178593
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-isopropyl-3,4-dih...)
Show SMILES CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C22H26FN3O/c1-15(2)26-14-18(27-22-6-4-3-5-21(22)26)13-24-10-9-16-12-25-20-8-7-17(23)11-19(16)20/h3-8,11-12,15,18,24-25H,9-10,13-14H2,1-2H3
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n/an/an/an/a 191n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178606
PNG
(3-(1H-indol-3-yl)-N-((4-isopropyl-3,4-dihydro-2H-b...)
Show SMILES CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)26-16-19(27-23-12-6-5-11-22(23)26)15-24-13-7-8-18-14-25-21-10-4-3-9-20(18)21/h3-6,9-12,14,17,19,24-25H,7-8,13,15-16H2,1-2H3
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n/an/an/an/a 329n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178588
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((4-methyl-3,4-dihydr...)
Show SMILES CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Show InChI InChI=1S/C20H22FN3O/c1-24-13-16(25-20-5-3-2-4-19(20)24)12-22-9-8-14-11-23-18-7-6-15(21)10-17(14)18/h2-7,10-11,16,22-23H,8-9,12-13H2,1H3
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n/an/an/an/a 168n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178589
PNG
(2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-...)
Show SMILES COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
Show InChI InChI=1S/C23H24FN3O2/c1-28-22-4-2-3-21-23(22)29-17(12-25-21)14-27-9-7-15(8-10-27)19-13-26-20-6-5-16(24)11-18(19)20/h2-7,11,13,17,25-26H,8-10,12,14H2,1H3
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n/an/an/an/a 386n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178601
PNG
(4-ethyl-2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydro...)
Show SMILES CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
Show InChI InChI=1S/C25H28FN3O2/c1-3-29-16-19(31-25-23(29)5-4-6-24(25)30-2)15-28-11-9-17(10-12-28)21-14-27-22-8-7-18(26)13-20(21)22/h4-9,13-14,19,27H,3,10-12,15-16H2,1-2H3
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n/an/an/an/a 418n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50178592
PNG
(CHEMBL410273 | N-((3,4-dihydro-2H-benzo[b][1,4]oxa...)
Show SMILES Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
Show InChI InChI=1S/C19H20FN3O/c20-14-5-6-17-16(9-14)13(10-22-17)7-8-21-11-15-12-23-18-3-1-2-4-19(18)24-15/h1-6,9-10,15,21-23H,7-8,11-12H2
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n/an/an/an/a 155n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Intrinsic activity assessed by stimulation of [35S]GTPgammaS binding in CHO cells expressing 5HT1A receptor

Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%