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9 similar compounds to monomer 50160612

Compile data set for download or QSAR
Wt: 410.4
BDBM50109062
Wt: 370.4
BDBM50150101
Wt: 382.4
BDBM50160601
Wt: 382.4
BDBM50160605
Wt: 391.4
BDBM50160607
Wt: 380.4
BDBM50160608
Wt: 410.4
BDBM50160610
Wt: 391.4
BDBM50160611
Wt: 380.4
BDBM50160614

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50109062,50150101,50160601,50160605,50160607,50160608,50160610,50160611,50160614   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50109062
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2
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0.0100n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
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0.0800n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
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0.700n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160611
PNG
(CHEMBL359549 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-17-6-9-23-20(14-17)21(15-28-23)16-4-7-18(8-5-16)26-12-13-29-24-3-1-2-22-19(24)10-11-27-22/h1-3,6,9-11,14-16,18,26-28H,4-5,7-8,12-13H2/t16-,18-
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1.08n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160611
PNG
(CHEMBL359549 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-17-6-9-23-20(14-17)21(15-28-23)16-4-7-18(8-5-16)26-12-13-29-24-3-1-2-22-19(24)10-11-27-22/h1-3,6,9-11,14-16,18,26-28H,4-5,7-8,12-13H2/t16-,18-
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1.73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160601
PNG
(CHEMBL180817 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H27FN2O2/c1-27-22-4-2-3-5-23(22)28-13-12-25-18-9-6-16(7-10-18)20-15-26-21-11-8-17(24)14-19(20)21/h2-5,8,11,14-16,18,25-26H,6-7,9-10,12-13H2,1H3/t16-,18+
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3.98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160605
PNG
(CHEMBL359505 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES COc1ccccc1OCCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H27FN2O2/c1-27-22-4-2-3-5-23(22)28-13-12-25-18-9-6-16(7-10-18)20-15-26-21-11-8-17(24)14-19(20)21/h2-5,8,11,14-16,18,25-26H,6-7,9-10,12-13H2,1H3/t16-,18-
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6.48n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160610
PNG
(CHEMBL178304 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-17-6-9-21-19(14-17)20(15-27-21)16-4-7-18(8-5-16)26-10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-3,6,9,14-16,18,26-27H,4-5,7-8,10-13H2/t16-,18+
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12.1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160607
PNG
(CHEMBL178467 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-17-6-9-23-20(14-17)21(15-28-23)16-4-7-18(8-5-16)26-12-13-29-24-3-1-2-22-19(24)10-11-27-22/h1-3,6,9-11,14-16,18,26-28H,4-5,7-8,12-13H2/t16-,18+
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12.6n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160608
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1
Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17-,18?
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14.1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160605
PNG
(CHEMBL359505 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES COc1ccccc1OCCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H27FN2O2/c1-27-22-4-2-3-5-23(22)28-13-12-25-18-9-6-16(7-10-18)20-15-26-21-11-8-17(24)14-19(20)21/h2-5,8,11,14-16,18,25-26H,6-7,9-10,12-13H2,1H3/t16-,18-
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22.4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50160614
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1
Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17+,18?
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23.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against Serotonin transporter determined bydisplacement of [3H]-paroxetine from rat cortical membranes


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160607
PNG
(CHEMBL178467 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-17-6-9-23-20(14-17)21(15-28-23)16-4-7-18(8-5-16)26-12-13-29-24-3-1-2-22-19(24)10-11-27-22/h1-3,6,9-11,14-16,18,26-28H,4-5,7-8,12-13H2/t16-,18+
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147n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109062
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2
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168n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT


Bioorg Med Chem Lett 12: 307-10 (2002)


Article DOI: 10.1016/s0960-894x(01)00746-6
BindingDB Entry DOI: 10.7270/Q2FJ2G2M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160608
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1
Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17-,18?
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194n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160601
PNG
(CHEMBL180817 | [4-(5-Fluoro-1H-indol-3-yl)-cyclohe...)
Show SMILES COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H27FN2O2/c1-27-22-4-2-3-5-23(22)28-13-12-25-18-9-6-16(7-10-18)20-15-26-21-11-8-17(24)14-19(20)21/h2-5,8,11,14-16,18,25-26H,6-7,9-10,12-13H2,1H3/t16-,18+
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307n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160614
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[4-(5-fl...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1
Show InChI InChI=1S/C23H25FN2O2/c24-16-7-10-21-19(11-16)20(13-26-21)15-5-8-17(9-6-15)25-12-18-14-27-22-3-1-2-4-23(22)28-18/h1-4,7,10-11,13,15,17-18,25-26H,5-6,8-9,12,14H2/t15-,17+,18?
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332n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50160610
PNG
(CHEMBL178304 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C24H27FN2O3/c25-17-6-9-21-19(14-17)20(15-27-21)16-4-7-18(8-5-16)26-10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-3,6,9,14-16,18,26-27H,4-5,7-8,10-13H2/t16-,18+
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484n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.


Bioorg Med Chem Lett 15: 911-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.064
BindingDB Entry DOI: 10.7270/Q2VD6XZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against human 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50150101
PNG
(CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15.7n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing human 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair