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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'herth' and Initial = 'mm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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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0.130n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 18: 1515-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.054
BindingDB Entry DOI: 10.7270/Q23F4QHZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 |r|
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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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 |r|
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
5-hydroxytryptamine receptor 2A


(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 |r|
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
5-hydroxytryptamine receptor 2A


(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 |r|
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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0.570n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 18: 1515-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.054
BindingDB Entry DOI: 10.7270/Q23F4QHZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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0.580n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT7 receptor


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 |r|
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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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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0.740n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1515-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.054
BindingDB Entry DOI: 10.7270/Q23F4QHZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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 |r|
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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2.10n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1515-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.054
BindingDB Entry DOI: 10.7270/Q23F4QHZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495564
PNG
(CHEMBL3113593)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C29H35FN4O2/c1-36-25-13-11-24(12-14-25)26-7-4-5-8-27(26)34-19-17-33(18-20-34)16-6-2-3-9-29(35)32-22-23-10-15-28(30)31-21-23/h4-5,7-8,10-15,21H,2-3,6,9,16-20,22H2,1H3,(H,32,35)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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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9n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1515-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.054
BindingDB Entry DOI: 10.7270/Q23F4QHZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50495567
PNG
(CHEMBL2442994)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-15-13-24(14-16-26)27-10-4-5-11-28(27)33-21-19-32(20-22-33)18-8-2-3-12-29(34)31-23-25-9-6-7-17-30-25/h4-7,9-11,13-17H,2-3,8,12,18-23H2,1H3,(H,31,34)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50442745
PNG
(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495572
PNG
(CHEMBL3113595)
Show SMILES Cc1ccccc1-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C28H33FN4O2/c1-22-6-2-3-7-24(22)25-8-4-5-9-26(25)33-15-13-32(14-16-33)17-19-35-18-12-28(34)31-21-23-10-11-27(29)30-20-23/h2-11,20H,12-19,21H2,1H3,(H,31,34)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495577
PNG
(CHEMBL2442995)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2cccnc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-14-12-25(13-15-26)27-9-4-5-10-28(27)33-20-18-32(19-21-33)17-6-2-3-11-29(34)31-23-24-8-7-16-30-22-24/h4-5,7-10,12-16,22H,2-3,6,11,17-21,23H2,1H3,(H,31,34)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50495564
PNG
(CHEMBL3113593)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C29H35FN4O2/c1-36-25-13-11-24(12-14-25)26-7-4-5-8-27(26)34-19-17-33(18-20-34)16-6-2-3-9-29(35)32-22-23-10-15-28(30)31-21-23/h4-5,7-8,10-15,21H,2-3,6,9,16-20,22H2,1H3,(H,32,35)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495567
PNG
(CHEMBL2442994)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-15-13-24(14-16-26)27-10-4-5-11-28(27)33-21-19-32(20-22-33)18-8-2-3-12-29(34)31-23-25-9-6-7-17-30-25/h4-7,9-11,13-17H,2-3,8,12,18-23H2,1H3,(H,31,34)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495566
PNG
(CHEMBL3113597)
Show SMILES Fc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H30F2N4O2/c28-23-8-6-22(7-9-23)24-3-1-2-4-25(24)33-14-12-32(13-15-33)16-18-35-17-11-27(34)31-20-21-5-10-26(29)30-19-21/h1-10,19H,11-18,20H2,(H,31,34)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50442742
PNG
(CHEMBL2442999)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-8-6-24(7-9-25)26-4-2-3-5-27(26)32-17-15-31(16-18-32)19-21-35-20-12-28(33)30-22-23-10-13-29-14-11-23/h2-11,13-14H,12,15-22H2,1H3,(H,30,33)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50442744
PNG
(CHEMBL2442997)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccccn2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-11-9-23(10-12-25)26-7-2-3-8-27(26)32-17-15-31(16-18-32)19-21-35-20-13-28(33)30-22-24-6-4-5-14-29-24/h2-12,14H,13,15-22H2,1H3,(H,30,33)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50442743
PNG
(CHEMBL2442998)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2cccnc2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-10-8-24(9-11-25)26-6-2-3-7-27(26)32-16-14-31(15-17-32)18-20-35-19-12-28(33)30-22-23-5-4-13-29-21-23/h2-11,13,21H,12,14-20,22H2,1H3,(H,30,33)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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 7


(Homo sapiens (Human))
BDBM50495568
PNG
(CHEMBL3113603)
Show SMILES COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1
Show InChI InChI=1S/C28H35N5O2/c1-35-25-10-8-23(9-11-25)22-31-27(34)7-3-2-4-17-32-18-20-33(21-19-32)28-26(6-5-14-30-28)24-12-15-29-16-13-24/h5-6,8-16H,2-4,7,17-22H2,1H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50442745
PNG
(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495571
PNG
(CHEMBL3113598)
Show SMILES COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2C)cc1
Show InChI InChI=1S/C30H37N3O3/c1-24-7-3-4-8-27(24)28-9-5-6-10-29(28)33-18-16-32(17-19-33)20-22-36-21-15-30(34)31-23-25-11-13-26(35-2)14-12-25/h3-14H,15-23H2,1-2H3,(H,31,34)
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33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50495567
PNG
(CHEMBL2442994)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-15-13-24(14-16-26)27-10-4-5-11-28(27)33-21-19-32(20-22-33)18-8-2-3-12-29(34)31-23-25-9-6-7-17-30-25/h4-7,9-11,13-17H,2-3,8,12,18-23H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in HEK293-EBNA cells after 120 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50495573
PNG
(CHEMBL3113594)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C28H33FN4O3/c1-35-24-9-7-23(8-10-24)25-4-2-3-5-26(25)33-15-13-32(14-16-33)17-19-36-18-12-28(34)31-21-22-6-11-27(29)30-20-22/h2-11,20H,12-19,21H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50495577
PNG
(CHEMBL2442995)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2cccnc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-14-12-25(13-15-26)27-9-4-5-10-28(27)33-20-18-32(19-21-33)17-6-2-3-11-29(34)31-23-24-8-7-16-30-22-24/h4-5,7-10,12-16,22H,2-3,6,11,17-21,23H2,1H3,(H,31,34)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
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 7


(Homo sapiens (Human))
BDBM50495575
PNG
(CHEMBL3113600)
Show SMILES COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-35-26-12-6-23(7-13-26)22-31-29(34)14-20-36-21-19-32-15-17-33(18-16-32)28-5-3-2-4-27(28)24-8-10-25(30)11-9-24/h2-13H,14-22H2,1H3,(H,31,34)
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50495566
PNG
(CHEMBL3113597)
Show SMILES Fc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show InChI InChI=1S/C27H30F2N4O2/c28-23-8-6-22(7-9-23)24-3-1-2-4-25(24)33-14-12-32(13-15-33)16-18-35-17-11-27(34)31-20-21-5-10-26(29)30-19-21/h1-10,19H,11-18,20H2,(H,31,34)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
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 |r|
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
5-hydroxytryptamine receptor 2A


(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 2A


(Homo sapiens (Human))
BDBM82183
PNG
((E)-[2-(dimethylamino)ethoxy]({[3-(2-fluoroethoxy)...)
Show SMILES COc1c(OCCF)cccc1\C(=N\OCCN(C)C)C1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C27H37F2N3O3/c1-31(2)18-20-35-30-26(24-5-4-6-25(27(24)33-3)34-19-14-28)22-12-16-32(17-13-22)15-11-21-7-9-23(29)10-8-21/h4-10,22H,11-20H2,1-3H3/b30-26+
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57 -43.0n/an/an/an/an/a7.437



University of Mainz



Assay Description
5-HT-2A receptor affinity was determined by a radioligand competition binding assay with GF-62 cells, a clonal cell line expressing high amounts of 5...


Chem Biol Drug Des 76: 361-6 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01011.x
BindingDB Entry DOI: 10.7270/Q2TX3CV8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 7


(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 |r|
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
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
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