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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50035028   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50082406
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082405
PNG
(1-phenoxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c27-20(17-28-21-7-2-1-3-8-21)16-26-14-12-25(13-15-26)24-11-10-19-6-4-5-9-22(19)23(24)18-29-25/h1-11,20,27H,12-18H2/t20-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082413
PNG
(1-(3-ethylphenoxy)-3-spiro[1,3-dihydrobenzo[e]isob...)
Show SMILES CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
Show InChI InChI=1S/C27H31NO3/c1-2-20-6-5-8-23(16-20)30-18-22(29)17-28-14-12-27(13-15-28)26-11-10-21-7-3-4-9-24(21)25(26)19-31-27/h3-11,16,22,29H,2,12-15,17-19H2,1H3/t22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082408
PNG
(1-benzyloxy-3-spiro[1,3-dihydrobenzo[e]isobenzofur...)
Show SMILES OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO3/c28-22(18-29-17-20-6-2-1-3-7-20)16-27-14-12-26(13-15-27)25-11-10-21-8-4-5-9-23(21)24(25)19-30-26/h1-11,22,28H,12-19H2
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2.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082410
PNG
(4-fluoro-7-[2-hydroxy-3-spiro[1,3-dihydrobenzo[e]i...)
Show SMILES OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H28FNO4/c29-24-8-10-26(27-21(24)6-9-25(27)32)33-16-19(31)15-30-13-11-28(12-14-30)23-7-5-18-3-1-2-4-20(18)22(23)17-34-28/h1-5,7-8,10,19,31H,6,9,11-17H2
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2.30n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
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2.80n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082407
PNG
(1-(6-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-21-14-20-5-3-13-32-27(20)26(15-21)33-17-22(31)16-30-11-9-28(10-12-30)25-8-7-19-4-1-2-6-23(19)24(25)18-34-28/h1-2,4,6-8,14-15,22,31H,3,5,9-13,16-18H2
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5.5n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082415
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m1/s1
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6n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082412
PNG
(1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...)
Show SMILES OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO2/c28-22(12-10-20-6-2-1-3-7-20)18-27-16-14-26(15-17-27)25-13-11-21-8-4-5-9-23(21)24(25)19-29-26/h1-9,11,13,22,28H,10,12,14-19H2
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8.30n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082412
PNG
(1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...)
Show SMILES OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO2/c28-22(12-10-20-6-2-1-3-7-20)18-27-16-14-26(15-17-27)25-13-11-21-8-4-5-9-23(21)24(25)19-29-26/h1-9,11,13,22,28H,10,12,14-19H2
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10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082414
PNG
(1'-(4-phenylbutyl)spiro[1,3-dihydrobenzo[e]isobenz...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO/c1-2-8-21(9-3-1)10-6-7-17-27-18-15-26(16-19-27)25-14-13-22-11-4-5-12-23(22)24(25)20-28-26/h1-5,8-9,11-14H,6-7,10,15-20H2
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28n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082410
PNG
(4-fluoro-7-[2-hydroxy-3-spiro[1,3-dihydrobenzo[e]i...)
Show SMILES OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H28FNO4/c29-24-8-10-26(27-21(24)6-9-25(27)32)33-16-19(31)15-30-13-11-28(12-14-30)23-7-5-18-3-1-2-4-20(18)22(23)17-34-28/h1-5,7-8,10,19,31H,6,9,11-17H2
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45n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
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49n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082405
PNG
(1-phenoxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c27-20(17-28-21-7-2-1-3-8-21)16-26-14-12-25(13-15-26)24-11-10-19-6-4-5-9-22(19)23(24)18-29-25/h1-11,20,27H,12-18H2/t20-/m0/s1
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50n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082406
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m0/s1
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52n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082407
PNG
(1-(6-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-21-14-20-5-3-13-32-27(20)26(15-21)33-17-22(31)16-30-11-9-28(10-12-30)25-8-7-19-4-1-2-6-23(19)24(25)18-34-28/h1-2,4,6-8,14-15,22,31H,3,5,9-13,16-18H2
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72n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082414
PNG
(1'-(4-phenylbutyl)spiro[1,3-dihydrobenzo[e]isobenz...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO/c1-2-8-21(9-3-1)10-6-7-17-27-18-15-26(16-19-27)25-14-13-22-11-4-5-12-23(22)24(25)20-28-26/h1-5,8-9,11-14H,6-7,10,15-20H2
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72n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082408
PNG
(1-benzyloxy-3-spiro[1,3-dihydrobenzo[e]isobenzofur...)
Show SMILES OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO3/c28-22(18-29-17-20-6-2-1-3-7-20)16-27-14-12-26(13-15-27)25-11-10-21-8-4-5-9-23(21)24(25)19-30-26/h1-11,22,28H,12-19H2
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83n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082413
PNG
(1-(3-ethylphenoxy)-3-spiro[1,3-dihydrobenzo[e]isob...)
Show SMILES CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
Show InChI InChI=1S/C27H31NO3/c1-2-20-6-5-8-23(16-20)30-18-22(29)17-28-14-12-27(13-15-28)26-11-10-21-7-3-4-9-24(21)25(26)19-31-27/h3-11,16,22,29H,2,12-15,17-19H2,1H3/t22-/m0/s1
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87n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50082415
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m1/s1
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120n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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>7.00E+3n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082415
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082408
PNG
(1-benzyloxy-3-spiro[1,3-dihydrobenzo[e]isobenzofur...)
Show SMILES OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO3/c28-22(18-29-17-20-6-2-1-3-7-20)16-27-14-12-26(13-15-27)25-11-10-21-8-4-5-9-23(21)24(25)19-30-26/h1-11,22,28H,12-19H2
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n/an/an/an/a 31n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082411
PNG
(1-(5-fluoro-3,4-dihydro-2H-8-chromenyloxy)-3-spiro...)
Show SMILES OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H30FNO4/c29-25-9-10-26(27-22(25)6-3-15-32-27)33-17-20(31)16-30-13-11-28(12-14-30)24-8-7-19-4-1-2-5-21(19)23(24)18-34-28/h1-2,4-5,7-10,20,31H,3,6,11-18H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082410
PNG
(4-fluoro-7-[2-hydroxy-3-spiro[1,3-dihydrobenzo[e]i...)
Show SMILES OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C28H28FNO4/c29-24-8-10-26(27-21(24)6-9-25(27)32)33-16-19(31)15-30-13-11-28(12-14-30)23-7-5-18-3-1-2-4-20(18)22(23)17-34-28/h1-5,7-8,10,19,31H,6,9,11-17H2
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n/an/an/an/a 3.5n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082412
PNG
(1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...)
Show SMILES OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO2/c28-22(12-10-20-6-2-1-3-7-20)18-27-16-14-26(15-17-27)25-13-11-21-8-4-5-9-23(21)24(25)19-29-26/h1-9,11,13,22,28H,10,12,14-19H2
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n/an/an/an/a 37n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082413
PNG
(1-(3-ethylphenoxy)-3-spiro[1,3-dihydrobenzo[e]isob...)
Show SMILES CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
Show InChI InChI=1S/C27H31NO3/c1-2-20-6-5-8-23(16-20)30-18-22(29)17-28-14-12-27(13-15-28)26-11-10-21-7-3-4-9-24(21)25(26)19-31-27/h3-11,16,22,29H,2,12-15,17-19H2,1H3/t22-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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n/an/an/an/a 27n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082414
PNG
(1'-(4-phenylbutyl)spiro[1,3-dihydrobenzo[e]isobenz...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C26H29NO/c1-2-8-21(9-3-1)10-6-7-17-27-18-15-26(16-19-27)25-14-13-22-11-4-5-12-23(22)24(25)20-28-26/h1-5,8-9,11-14H,6-7,10,15-20H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082405
PNG
(1-phenoxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran...)
Show SMILES O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H27NO3/c27-20(17-28-21-7-2-1-3-8-21)16-26-14-12-25(13-15-26)24-11-10-19-6-4-5-9-22(19)23(24)18-29-25/h1-11,20,27H,12-18H2/t20-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50082406
PNG
(1-(2-fluorophenoxy)-3-spiro[1,3-dihydrobenzo[e]iso...)
Show SMILES O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show InChI InChI=1S/C25H26FNO3/c26-23-7-3-4-8-24(23)29-16-19(28)15-27-13-11-25(12-14-27)22-10-9-18-5-1-2-6-20(18)21(22)17-30-25/h1-10,19,28H,11-17H2/t19-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells


Bioorg Med Chem Lett 9: 3243-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00570-3
BindingDB Entry DOI: 10.7270/Q2W37WVB
More data for this
Ligand-Target Pair