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PubMed code 19329329

Compile data set for download or QSAR
Found 183 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.130n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]altanserine from rat cortical membrane 5HT2A receptor


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267633
PNG
((R)-(3-Hydroxy-2-methoxyphenyl)-(1-(2-p-fluorophen...)
Show SMILES COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H26FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24-25H,9-14H2,1H3/t20-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267631
PNG
((2,3-dimethoxyphenyl)(1-(4-methylphenethyl)piperid...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(C)cc3)CC2)c1OC
Show InChI InChI=1S/C23H31NO3/c1-17-7-9-18(10-8-17)11-14-24-15-12-19(13-16-24)22(25)20-5-4-6-21(26-2)23(20)27-3/h4-10,19,22,25H,11-16H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL100907 from rat cortical membrane 5HT2A receptor


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.720n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267598
PNG
((3-Hydroxy-2-methoxyphenyl)-(1-(2-p-fluorophenylet...)
Show SMILES COc1c(O)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H26FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24-25H,9-14H2,1H3
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1.24n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267632
PNG
(4-(3-Hydroxy-2-methoxy-benzoyl)-1-(2-p-fluoropheny...)
Show SMILES COc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H24FNO3/c1-26-21-18(3-2-4-19(21)24)20(25)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,24H,9-14H2,1H3
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1.34n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267597
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-phenyle...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H30FNO3/c1-27-23-20(8-5-9-21(23)28-17-13-24)22(26)19-11-15-25(16-12-19)14-10-18-6-3-2-4-7-18/h2-9,19,22,26H,10-17H2,1H3
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1.63n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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1.83n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267666
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-paminop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(N)cc2)CC1
Show InChI InChI=1S/C23H31FN2O3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16,25H2,1H3
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2.06n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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3.23n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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4.56n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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9.02n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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26n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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40n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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53n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267630
PNG
((2,3-dimethoxyphenyl)(1-(4-methoxyphenethyl)piperi...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OC)c2OC)cc1
Show InChI InChI=1S/C23H31NO4/c1-26-19-9-7-17(8-10-19)11-14-24-15-12-18(13-16-24)22(25)20-5-4-6-21(27-2)23(20)28-3/h4-10,18,22,25H,11-16H2,1-3H3
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55n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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59n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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62n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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71n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267629
PNG
((2,3-dimethoxyphenyl)(1-(4-nitrophenethyl)piperidi...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c1OC
Show InChI InChI=1S/C22H28N2O5/c1-28-20-5-3-4-19(22(20)29-2)21(25)17-11-14-23(15-12-17)13-10-16-6-8-18(9-7-16)24(26)27/h3-9,17,21,25H,10-15H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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107n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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116n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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118n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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128n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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143n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2C adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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146n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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148n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2C adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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153n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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154n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2C adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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174n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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210n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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299n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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320n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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325n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1B adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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333n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2C adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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335n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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374n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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439n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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442n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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466n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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497n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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498n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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500n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1B adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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508n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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509n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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544n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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550n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1B adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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559n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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665n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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706n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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713n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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731n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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827n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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863n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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884n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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899n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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923n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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944n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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960n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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991n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267599
PNG
((2,3-Dimethoxyphenyl)-(1-(p-fluorobenzyl)-piperidi...)
Show SMILES COc1cccc(C(O)C2CCN(Cc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C21H26FNO3/c1-25-19-5-3-4-18(21(19)26-2)20(24)16-10-12-23(13-11-16)14-15-6-8-17(22)9-7-15/h3-9,16,20,24H,10-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.01E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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1.05E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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1.06E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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1.16E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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1.41E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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1.44E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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1.44E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50113332
PNG
(3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.57E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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1.68E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.68E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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1.72E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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1.76E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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1.76E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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1.84E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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1.84E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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1.85E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.88E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.93E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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1.97E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50267596
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-phenylacet...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28FNO4/c1-28-23-19(8-5-9-20(23)29-15-12-24)22(27)18-10-13-25(14-11-18)21(26)16-17-6-3-2-4-7-17/h2-9,18,22,27H,10-16H2,1H3
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1.99E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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2.01E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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2.17E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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2.21E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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2.43E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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2.65E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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2.69E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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2.71E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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2.75E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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2.86E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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3.09E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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3.18E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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3.36E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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3.42E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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3.52E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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3.83E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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3.83E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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3.84E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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3.89E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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4.89E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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5.17E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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6.24E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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6.81E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D5 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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7.42E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D5 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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9.03E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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9.42E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned DAT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned DAT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2A adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned DAT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267507
PNG
((R)-(3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-f...)
Show SMILES COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3/t22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267509
PNG
((3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrop...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1D receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267556
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pnit...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha1B adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned DAT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267508
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fl...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H27F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267510
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-toluy...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H32FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20,23,27H,10-17H2,1-2H3
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Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50232152
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(3-(2-fluoroe...)
Show SMILES COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2NO3/c1-28-23-20(3-2-4-21(23)29-16-12-24)22(27)18-10-14-26(15-11-18)13-9-17-5-7-19(25)8-6-17/h2-8,18,22,27H,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50095027
PNG
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)
Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor (unknown origin) by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267555
PNG
((3-(2-Fluoroethoxy)-2-methoxyphenyl)-(1-(2-p-metho...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H32FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19,23,27H,10-17H2,1-2H3
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GoogleScholar
CHEMBL
PC cid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%