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PubMed code 15686885

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50160612
PNG
(CHEMBL362823 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
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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 1.05n/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


(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 |wU:11.14,wD:8.7,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.6,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
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 |wU:11.14,wD:8.7,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.6,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
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))		BDBM50160602
PNG
(5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.51,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Show InChI InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3/t18-,20+
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 3.30n/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 |wU:15.19,12.12,(-6.23,2.4,;-7.55,1.63,;-7.55,.09,;-8.91,-.7,;-8.91,-2.24,;-7.55,-3.01,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.69,-1.52,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.37,;2.83,1.21,;2.36,-.24,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.46,2.78,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.46,-1.03,;5.46,.53,)|
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50160613
PNG
(5-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazin...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20-
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 4.62n/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))		BDBM50160609
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20+
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 5.31n/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))		BDBM50160603
PNG
(5-Fluoro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.66,4.62,;-9.21,4.64,;-9.98,3.31,;-9.22,1.97,;-7.69,1.96,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20+
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 5.39n/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 |wU:12.12,wD:15.19,(-6.22,2.4,;-7.55,1.61,;-7.55,.09,;-8.91,-.68,;-8.91,-2.24,;-7.55,-2.99,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.68,-1.5,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.36,;2.83,1.23,;2.36,-.26,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.47,2.79,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.47,-1.03,;5.47,.51,)|
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50160606
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20-
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 11.3n/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))		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 |wU:8.7,11.14,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
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 |wU:8.7,11.14,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.59,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
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 |wU:11.14,wD:8.7,(5.88,4.43,;6.21,2.92,;7.68,2.47,;8,.97,;6.87,-.05,;6.88,-1.62,;5.42,-2.08,;4.51,-.86,;2.99,-.87,;2.2,.48,;.65,.46,;-.12,-.87,;.68,-2.22,;2.22,-2.2,;-1.63,-.89,;-2.42,.44,;-3.96,.44,;-4.75,1.77,;-6.32,1.75,;-7.06,.4,;-8.61,.37,;-9.37,-.96,;-8.58,-2.29,;-7.02,-2.27,;-6.28,-.94,;-4.74,-.92,;5.41,.41,;5.09,1.89,)|
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


(Homo sapiens (Human))		BDBM50160604
PNG
(5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,wD:17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.49,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Show InChI InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3/t18-,20-
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 14.3n/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


(Homo sapiens (Human))		BDBM50160612
PNG
(CHEMBL362823 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
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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 18.9n/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


(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 |wU:12.12,wD:15.19,(-6.22,2.4,;-7.55,1.61,;-7.55,.09,;-8.91,-.68,;-8.91,-2.24,;-7.55,-2.99,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.68,-1.5,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.36,;2.83,1.23,;2.36,-.26,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.47,2.79,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.47,-1.03,;5.47,.51,)|
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 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)|
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


(Homo sapiens (Human))		BDBM50160603
PNG
(5-Fluoro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.66,4.62,;-9.21,4.64,;-9.98,3.31,;-9.22,1.97,;-7.69,1.96,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20+
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 36.7n/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))		BDBM50160604
PNG
(5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,wD:17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.49,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Show InChI InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3/t18-,20-
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 46.1n/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))		BDBM50160613
PNG
(5-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazin...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Show InChI InChI=1S/C26H29FN4/c27-19-6-9-25-22(16-19)23(17-29-25)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-21(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2/t18-,20-
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 48.5n/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


(Homo sapiens (Human))		BDBM50160609
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20+
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 65.7n/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))		BDBM50160606
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Show InChI InChI=1S/C26H30FN3O2/c27-19-6-9-23-21(16-19)22(17-28-23)18-4-7-20(8-5-18)29-10-12-30(13-11-29)24-2-1-3-25-26(24)32-15-14-31-25/h1-3,6,9,16-18,20,28H,4-5,7-8,10-15H2/t18-,20-
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 67.2n/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


(Homo sapiens (Human))		BDBM50160602
PNG
(5-Fluoro-3-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.51,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Show InChI InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3/t18-,20+
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 129n/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


(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 |wU:8.7,11.14,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.59,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
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


(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 |wU:11.14,wD:8.7,(5.88,4.43,;6.21,2.92,;7.68,2.47,;8,.97,;6.87,-.05,;6.88,-1.62,;5.42,-2.08,;4.51,-.86,;2.99,-.87,;2.2,.48,;.65,.46,;-.12,-.87,;.68,-2.22,;2.22,-2.2,;-1.63,-.89,;-2.42,.44,;-3.96,.44,;-4.75,1.77,;-6.32,1.75,;-7.06,.4,;-8.61,.37,;-9.37,-.96,;-8.58,-2.29,;-7.02,-2.27,;-6.28,-.94,;-4.74,-.92,;5.41,.41,;5.09,1.89,)|
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


(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 |wU:15.19,12.12,(-6.23,2.4,;-7.55,1.63,;-7.55,.09,;-8.91,-.7,;-8.91,-2.24,;-7.55,-3.01,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.69,-1.52,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.37,;2.83,1.21,;2.36,-.24,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.46,2.78,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.46,-1.03,;5.46,.53,)|
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


(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 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)|
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


(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 |wU:8.7,11.14,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
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
* indicates data uncertainty>20%