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7 similar compounds to monomer 50109058

Compile data set for download or QSAR
Wt: 376.4
BDBM50109055
Wt: 370.4
BDBM50109056
Wt: 369.4
BDBM50109060
Wt: 358.4
BDBM50109061
Wt: 383.4
BDBM50153626
Wt: 318.4
BDBM50154709
Wt: 242.3
BDBM50209169
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50109055,50109056,50109060,50109061,50153626,50154709,50209169   
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))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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0.170n/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))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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0.230n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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0.900n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin


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
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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1n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against alpha adrenergic receptor


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153626
PNG
(1H-4-indolyl 2-[3-(1H-3-indolyl)-8-azabicyclo[3.2....)
Show SMILES C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2
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1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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1.5n/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


(Homo sapiens (Human))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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1.5n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against serotonin transporter


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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3.60n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin


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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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4.70n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin


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))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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6.90n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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11n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism at the 5-hydroxytryptamine 1A receptor in vitro


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))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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11n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against 5-hydroxytryptamine 1A receptor


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


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


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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45n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...


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))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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72n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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78n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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78n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of the compound at the 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]-GTP-gammaS,


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))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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93n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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


(Homo sapiens (Human))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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94n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...


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))
BDBM50153626
PNG
(1H-4-indolyl 2-[3-(1H-3-indolyl)-8-azabicyclo[3.2....)
Show SMILES C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2
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111n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]-8-OH-DPAT radioligand


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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175n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...


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


(Homo sapiens (Human))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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387n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...


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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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897n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50154709
PNG
(3-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-met...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C21H22N2O/c1-24-18-7-8-21-19(13-18)20(14-22-21)17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-9,13-14,22H,10-12,15H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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n/an/a 90n/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))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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n/an/a 524n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of the compound at the 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]-GTP-gammaS,


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))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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n/an/a 115n/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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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n/an/a 730n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50109060
PNG
(5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C24H23N3O/c1-2-7-22-19(5-1)21(17-26-22)18-10-13-27(14-11-18)15-16-28-24-9-3-8-23-20(24)6-4-12-25-23/h1-10,12,17,26H,11,13-16H2
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n/an/a 686n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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))
BDBM50109056
PNG
(5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12
Show InChI InChI=1S/C23H22N4O/c1-6-21-19(5-3-10-24-21)22(7-1)28-15-14-27-12-8-17(9-13-27)20-16-26-23-18(20)4-2-11-25-23/h1-8,10-11,16H,9,12-15H2,(H,25,26)
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n/an/a 181n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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n/an/a 39n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]-GTP-gammaS,


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))
BDBM50109055
PNG
(3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12
Show InChI InChI=1S/C23H24N2O3/c1-2-5-20-18(4-1)19(16-24-20)17-8-10-25(11-9-17)12-13-26-21-6-3-7-22-23(21)28-15-14-27-22/h1-8,16,24H,9-15H2
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n/an/a 222n/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro


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