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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'jurczyk' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50146087
PNG
(1,3-Dimethyl-8-[4-(4-phenyl-piperazin-1-yl)-butyl]...)
Show SMILES Cn1c2nc3N(CCCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H33N7O2/c1-26-21-20(22(32)27(2)24(26)33)31-14-8-13-30(23(31)25-21)12-7-6-11-28-15-17-29(18-16-28)19-9-4-3-5-10-19/h3-5,9-10H,6-8,11-18H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301634
PNG
(7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1
Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3
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5.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50146094
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
Show InChI InChI=1S/C24H29N7O4/c1-26-21-20(22(33)27(2)24(26)34)31-12-9-19(32)30(23(31)25-21)11-6-10-28-13-15-29(16-14-28)17-7-4-5-8-18(17)35-3/h4-5,7-9,12H,6,10-11,13-16H2,1-3H3
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10.4n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301639
PNG
(6-Bromo-1,3-dimethyl-7-[3-(4-phenyl-piperazin-1-yl...)
Show SMILES Cn1c2nc3nc(NCCCN4CCN(CC4)c4ccccc4)c(Br)cn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27BrN8O2/c1-28-20-18(21(33)29(2)23(28)34)32-15-17(24)19(26-22(32)27-20)25-9-6-10-30-11-13-31(14-12-30)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,25,26,27)
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11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301628
PNG
(7-Methyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H31N7O3/c1-17-16-31-20-21(26(2)24(33)27(3)22(20)32)25-23(31)30(17)11-7-10-28-12-14-29(15-13-28)18-8-5-6-9-19(18)34-4/h5-6,8-9,16H,7,10-15H2,1-4H3
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16.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301632
PNG
(7-Methyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN7O2/c1-16-15-31-19-20(26(2)23(33)27(3)21(19)32)25-22(31)30(16)9-5-8-28-10-12-29(13-11-28)18-7-4-6-17(24)14-18/h4,6-7,14-15H,5,8-13H2,1-3H3
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17.1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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17.2n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301629
PNG
(8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-1,3-dimet...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
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24.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50146084
PNG
(1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301630
PNG
(8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-yl-propyl]...)
Show SMILES COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C23H29N7O3/c1-25-20-19(21(31)26(2)23(25)32)30-16-15-29(22(30)24-20)10-6-9-27-11-13-28(14-12-27)17-7-4-5-8-18(17)33-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3
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25.4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301627
PNG
(7-Methyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N7O2/c1-17-16-30-19-20(25(2)23(32)26(3)21(19)31)24-22(30)29(17)11-7-10-27-12-14-28(15-13-27)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3
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76.4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301631
PNG
(8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H26ClN7O2/c1-25-19-18(20(31)26(2)22(25)32)30-14-13-29(21(30)24-19)8-4-7-27-9-11-28(12-10-27)17-6-3-5-16(23)15-17/h3,5-6,13-15H,4,7-12H2,1-2H3
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91.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301633
PNG
(7-Phenyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C28H31N7O2/c1-30-25-24(26(36)31(2)28(30)37)35-20-23(21-10-5-3-6-11-21)34(27(35)29-25)15-9-14-32-16-18-33(19-17-32)22-12-7-4-8-13-22/h3-8,10-13,20H,9,14-19H2,1-2H3
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96.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301634
PNG
(7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1
Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3
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143n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50146087
PNG
(1,3-Dimethyl-8-[4-(4-phenyl-piperazin-1-yl)-butyl]...)
Show SMILES Cn1c2nc3N(CCCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H33N7O2/c1-26-21-20(22(32)27(2)24(26)33)31-14-8-13-30(23(31)25-21)12-7-6-11-28-15-17-29(18-16-28)19-9-4-3-5-10-19/h3-5,9-10H,6-8,11-18H2,1-2H3
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243n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301639
PNG
(6-Bromo-1,3-dimethyl-7-[3-(4-phenyl-piperazin-1-yl...)
Show SMILES Cn1c2nc3nc(NCCCN4CCN(CC4)c4ccccc4)c(Br)cn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27BrN8O2/c1-28-20-18(21(33)29(2)23(28)34)32-15-17(24)19(26-22(32)27-20)25-9-6-10-30-11-13-31(14-12-30)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,25,26,27)
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297n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301628
PNG
(7-Methyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H31N7O3/c1-17-16-31-20-21(26(2)24(33)27(3)22(20)32)25-23(31)30(17)11-7-10-28-12-14-29(15-13-28)18-8-5-6-9-19(18)34-4/h5-6,8-9,16H,7,10-15H2,1-4H3
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345n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301632
PNG
(7-Methyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN7O2/c1-16-15-31-19-20(26(2)23(33)27(3)21(19)32)25-22(31)30(16)9-5-8-28-10-12-29(13-11-28)18-7-4-6-17(24)14-18/h4,6-7,14-15H,5,8-13H2,1-3H3
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403n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301639
PNG
(6-Bromo-1,3-dimethyl-7-[3-(4-phenyl-piperazin-1-yl...)
Show SMILES Cn1c2nc3nc(NCCCN4CCN(CC4)c4ccccc4)c(Br)cn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27BrN8O2/c1-28-20-18(21(33)29(2)23(28)34)32-15-17(24)19(26-22(32)27-20)25-9-6-10-30-11-13-31(14-12-30)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,25,26,27)
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414n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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486n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50146089
PNG
(1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3
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562n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301632
PNG
(7-Methyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN7O2/c1-16-15-31-19-20(26(2)23(33)27(3)21(19)32)25-22(31)30(16)9-5-8-28-10-12-29(13-11-28)18-7-4-6-17(24)14-18/h4,6-7,14-15H,5,8-13H2,1-3H3
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767n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301633
PNG
(7-Phenyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C28H31N7O2/c1-30-25-24(26(36)31(2)28(30)37)35-20-23(21-10-5-3-6-11-21)34(27(35)29-25)15-9-14-32-16-18-33(19-17-32)22-12-7-4-8-13-22/h3-8,10-13,20H,9,14-19H2,1-2H3
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814n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301630
PNG
(8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-yl-propyl]...)
Show SMILES COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C23H29N7O3/c1-25-20-19(21(31)26(2)23(25)32)30-16-15-29(22(30)24-20)10-6-9-27-11-13-28(14-12-27)17-7-4-5-8-18(17)33-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3
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839n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301638
PNG
(CHEMBL566891 | N-2-[N4-(3-chloro)-phenyl-piperazin...)
Show SMILES Cn1c2nc3NC(Cn3c2c(=O)n(C)c1=O)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H27ClN8O3/c1-27-18-17(20(33)28(2)22(27)34)31-13-16(25-21(31)26-18)19(32)24-6-7-29-8-10-30(11-9-29)15-5-3-4-14(23)12-15/h3-5,12,16H,6-11,13H2,1-2H3,(H,24,32)(H,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301637
PNG
(CHEMBL566227 | N-2-[N4-(2-methoxy)-phenyl-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C2Cn3c(N2)nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C23H30N8O4/c1-27-19-18(21(33)28(2)23(27)34)31-14-15(25-22(31)26-19)20(32)24-8-9-29-10-12-30(13-11-29)16-6-4-5-7-17(16)35-3/h4-7,15H,8-14H2,1-3H3,(H,24,32)(H,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301636
PNG
(CHEMBL566022 | N-2-[(N4-phenyl)-piperazin-N1-yl]-e...)
Show SMILES Cn1c2nc3NC(Cn3c2c(=O)n(C)c1=O)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28N8O3/c1-26-18-17(20(32)27(2)22(26)33)30-14-16(24-21(30)25-18)19(31)23-8-9-28-10-12-29(13-11-28)15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,23,31)(H,24,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301635
PNG
(7-Phenyl-8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C28H30ClN7O2/c1-31-25-24(26(37)32(2)28(31)38)36-19-23(20-8-4-3-5-9-20)35(27(36)30-25)13-7-12-33-14-16-34(17-15-33)22-11-6-10-21(29)18-22/h3-6,8-11,18-19H,7,12-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301634
PNG
(7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1
Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301633
PNG
(7-Phenyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C28H31N7O2/c1-30-25-24(26(36)31(2)28(30)37)35-20-23(21-10-5-3-6-11-21)34(27(35)29-25)15-9-14-32-16-18-33(19-17-32)22-12-7-4-8-13-22/h3-8,10-13,20H,9,14-19H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301627
PNG
(7-Methyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N7O2/c1-17-16-30-19-20(25(2)23(32)26(3)21(19)31)24-22(30)29(17)11-7-10-27-12-14-28(15-13-27)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301631
PNG
(8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H26ClN7O2/c1-25-19-18(20(31)26(2)22(25)32)30-14-13-29(21(30)24-19)8-4-7-27-9-11-28(12-10-27)17-6-3-5-16(23)15-17/h3,5-6,13-15H,4,7-12H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301630
PNG
(8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-yl-propyl]...)
Show SMILES COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C23H29N7O3/c1-25-20-19(21(31)26(2)23(25)32)30-16-15-29(22(30)24-20)10-6-9-27-11-13-28(14-12-27)17-7-4-5-8-18(17)33-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301629
PNG
(8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-1,3-dimet...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301629
PNG
(8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-1,3-dimet...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H27N7O2/c1-24-19-18(20(30)25(2)22(24)31)29-16-15-28(21(29)23-19)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50301628
PNG
(7-Methyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Show InChI InChI=1S/C24H31N7O3/c1-17-16-31-20-21(26(2)24(33)27(3)22(20)32)25-23(31)30(17)11-7-10-28-12-14-29(15-13-28)18-8-5-6-9-19(18)34-4/h5-6,8-9,16H,7,10-15H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301627
PNG
(7-Methyl-8-[3-(N4-phenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N7O2/c1-17-16-30-19-20(25(2)23(32)26(3)21(19)31)24-22(30)29(17)11-7-10-27-12-14-28(15-13-27)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50301631
PNG
(8-[3-(N4-3'-chlorophenyl)-piperazin-N1-yl-propyl]-...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H26ClN7O2/c1-25-19-18(20(31)26(2)22(25)32)30-14-13-29(21(30)24-19)8-4-7-27-9-11-28(12-10-27)17-6-3-5-16(23)15-17/h3,5-6,13-15H,4,7-12H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting


Eur J Med Chem 44: 4288-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.014
BindingDB Entry DOI: 10.7270/Q2C53KWK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50146094
PNG
(8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
Show InChI InChI=1S/C24H29N7O4/c1-26-21-20(22(33)27(2)24(26)34)31-12-9-19(32)30(23(31)25-21)11-6-10-28-13-15-29(16-14-28)17-7-4-5-8-18(17)35-3/h4-5,7-9,12H,6,10-11,13-16H2,1-3H3
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3.88E+3n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50146084
PNG
(1,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl...)
Show SMILES Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-12-9-18(31)29(22(30)24-20)11-6-10-27-13-15-28(16-14-27)17-7-4-3-5-8-17/h3-5,7-9,12H,6,10-11,13-16H2,1-2H3
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4.68E+3n/an/an/an/an/an/an/an/a



Collegium Medicum of the Jagiellonian University

Curated by ChEMBL


Assay Description
Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand


J Med Chem 47: 2659-66 (2004)


Article DOI: 10.1021/jm030946u
BindingDB Entry DOI: 10.7270/Q2XG9QKJ
More data for this
Ligand-Target Pair