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Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'rösch' and Initial = 'f'   
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


(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))
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


(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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220542
PNG
(CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220543
PNG
(CHEMBL240106 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23BrN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220542
PNG
(CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.680n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220542
PNG
(CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220543
PNG
(CHEMBL240106 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23BrN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220543
PNG
(CHEMBL240106 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23BrN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220541
PNG
(CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...)
Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r|
Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007517
PNG
((S)-3-bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220541
PNG
(CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...)
Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r|
Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220541
PNG
(CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...)
Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r|
Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220546
PNG
(CHEMBL397103 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(I)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21IN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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11n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220546
PNG
(CHEMBL397103 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(I)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21IN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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14n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220546
PNG
(CHEMBL397103 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(I)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21IN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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15n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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15n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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17n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220545
PNG
(CHEMBL397592 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(Br)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21BrN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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22n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220545
PNG
(CHEMBL397592 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(Br)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21BrN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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23n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220545
PNG
(CHEMBL397592 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(Br)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C16H21BrN2O2/c1-3-8-19-9-4-5-13(19)11-18-16(20)14-10-12(17)6-7-15(14)21-2/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3,(H,18,20)/t13-/m0/s1
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27n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220544
PNG
(CHEMBL428561 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(CCCF)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
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30n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50220544
PNG
(CHEMBL428561 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(CCCF)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
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30n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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31n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50220544
PNG
(CHEMBL428561 | N-(((S)-1-allylpyrrolidin-2-yl)meth...)
Show SMILES COc1ccc(CCCF)cc1C(=O)NC[C@@H]1CCCN1CC=C
Show InChI InChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
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33n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells


Bioorg Med Chem 15: 6819-29 (2007)


Article DOI: 10.1016/j.bmc.2007.07.017
BindingDB Entry DOI: 10.7270/Q20G3JVD
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 |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
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