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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'chojnacka-wójcik' and Initial = 'e'   
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))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor


J Med Chem 42: 4952-60 (2000)


BindingDB Entry DOI: 10.7270/Q2833R7H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT


J Med Chem 39: 1125-9 (1996)


Article DOI: 10.1021/jm950662c
BindingDB Entry DOI: 10.7270/Q21Z43H2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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1.5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
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))
BDBM50206353
PNG
(1-(adamantylcarbonyl)-N-{4-[4-(2-methoxyphenyl)pip...)
Show SMILES COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C30H45N3O2/c1-35-28-10-3-2-9-27(28)32-15-13-31(14-16-32)11-5-4-7-26-8-6-12-33(26)29(34)30-20-23-17-24(21-30)19-25(18-23)22-30/h2-3,9-10,23-26H,4-8,11-22H2,1H3/t23?,24?,25?,26-,30?/m1/s1
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3n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50083044
PNG
((3aS,7aR)-2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1
Show InChI InChI=1S/C23H33N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h4-5,10-11,18-19H,2-3,6-9,12-17H2,1H3/t18-,19+
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4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor


J Med Chem 42: 4952-60 (2000)


BindingDB Entry DOI: 10.7270/Q2833R7H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186236
PNG
(Adamantane-1-carboxylic acid ((S)-1-{4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:22:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
Show InChI InChI=1S/C30H42N4O4/c1-38-26-7-3-2-6-25(26)33-12-10-32(11-13-33)8-4-5-9-34-27(35)17-24(28(34)36)31-29(37)30-18-21-14-22(19-30)16-23(15-21)20-30/h2-3,6-7,21-24H,4-5,8-20H2,1H3,(H,31,37)/t21?,22?,23?,24-,30?/m0/s1
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4n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039787
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C21H27N5O/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22-18-8-2-3-9-19(18)23-26/h2-5,8-11H,6-7,12-17H2,1H3
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4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT


J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50206350
PNG
(CHEMBL390037 | N-((S)-1-{4-[4-(3-chlorophenyl)pipe...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |w:24.24,29.29,26.27,TEB:23:24:27.28:30|
Show InChI InChI=1S/C27H37ClN4O3/c28-22-4-3-5-23(17-22)31-12-10-30(11-13-31)8-1-2-9-32-26(34)18-24(27(32)35)29-25(33)16-21-15-19-6-7-20(21)14-19/h3-5,17,19-21,24H,1-2,6-16,18H2,(H,29,33)/t19?,20?,21?,24-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from serotonin 5HT2A receptor in rat brain cortex


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051165
PNG
(8-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-8-az...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C22H30N2O2/c25-20-15-22(10-3-4-11-22)16-21(26)24(20)13-6-5-12-23-14-9-18-7-1-2-8-19(18)17-23/h1-2,7-8H,3-6,9-17H2
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5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT


J Med Chem 39: 1125-9 (1996)


Article DOI: 10.1021/jm950662c
BindingDB Entry DOI: 10.7270/Q21Z43H2
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))
BDBM50051166
PNG
(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyrr...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
Show InChI InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50051166
PNG
(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyrr...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
Show InChI InChI=1S/C19H27N3O3/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24/h2-3,6-7H,4-5,8-15H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT


J Med Chem 39: 1125-9 (1996)


Article DOI: 10.1021/jm950662c
BindingDB Entry DOI: 10.7270/Q21Z43H2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50206351
PNG
((S)-N-(1-(4-(4-(3-chlorophenyl)piperazin-1-yl)buty...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Show InChI InChI=1S/C25H35ClN4O3/c26-20-9-6-10-21(17-20)29-15-13-28(14-16-29)11-4-5-12-30-23(31)18-22(25(30)33)27-24(32)19-7-2-1-3-8-19/h6,9-10,17,19,22H,1-5,7-8,11-16,18H2,(H,27,32)/t22-/m0/s1
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6.51n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from serotonin 5HT2A receptor in rat brain cortex


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50099496
PNG
(1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C\c3cccnc3)c3ccccc23)CC1
Show InChI InChI=1S/C27H27ClN4O/c28-22-7-3-8-23(19-22)31-16-14-30(15-17-31)12-5-13-32-26-10-2-1-9-24(26)25(27(32)33)18-21-6-4-11-29-20-21/h1-4,6-11,18-20H,5,12-17H2/b25-18+
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7n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50083042
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohe...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O |(18.26,-.38,;17.46,-1.71,;18.23,-3.06,;19.75,-3.08,;20.5,-4.43,;19.72,-5.74,;18.18,-5.72,;17.42,-4.37,;15.89,-4.34,;15.15,-2.99,;13.58,-2.96,;12.81,-4.3,;13.54,-5.66,;15.1,-5.68,;11.26,-4.28,;10.5,-2.92,;8.96,-2.92,;8.16,-4.24,;8.93,-5.59,;10.47,-5.61,;6.62,-4.21,;5.75,-5.49,;6.26,-6.94,;4.28,-5.07,;2.98,-5.88,;1.61,-5.14,;1.57,-3.6,;2.89,-2.8,;4.24,-3.53,;5.69,-2.99,;6.1,-1.52,)|
Show InChI InChI=1S/C25H29N3O3/c1-31-23-9-5-4-8-22(23)27-16-14-26(15-17-27)18-10-12-19(13-11-18)28-24(29)20-6-2-3-7-21(20)25(28)30/h2-9,18-19H,10-17H2,1H3
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8n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor


J Med Chem 42: 4952-60 (2000)


BindingDB Entry DOI: 10.7270/Q2833R7H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT


J Med Chem 39: 1125-9 (1996)


Article DOI: 10.1021/jm950662c
BindingDB Entry DOI: 10.7270/Q21Z43H2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186243
PNG
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((S)-1-(4-(4-(2-me...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:24:25:28.29:31|
Show InChI InChI=1S/C28H40N4O4/c1-36-25-7-3-2-6-24(25)31-14-12-30(13-15-31)10-4-5-11-32-27(34)19-23(28(32)35)29-26(33)18-22-17-20-8-9-21(22)16-20/h2-3,6-7,20-23H,4-5,8-19H2,1H3,(H,29,33)/t20?,21?,22?,23-/m0/s1
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9n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
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))
BDBM50316331
PNG
(CHEMBL1098616 | rac-5-Cyclopropyl-5-phenyl-3-{3-[4...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C26H32N4O3/c1-33-23-11-6-5-10-22(23)29-18-16-28(17-19-29)14-7-15-30-24(31)26(21-12-13-21,27-25(30)32)20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3,(H,27,32)
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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]8OH-DPAT from 5HT1A in rat brain cerebral cortex


Eur J Med Chem 45: 1295-303 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.053
BindingDB Entry DOI: 10.7270/Q2WM1DKV
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))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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12.3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT


J Med Chem 39: 1125-9 (1996)


Article DOI: 10.1021/jm950662c
BindingDB Entry DOI: 10.7270/Q21Z43H2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50206346
PNG
(1-(adamantylcarbonyl)-N-{4-[4-(3-chlorophenyl)pipe...)
Show SMILES Clc1cccc(c1)N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C29H42ClN3O/c30-25-5-3-7-27(18-25)32-13-11-31(12-14-32)9-2-1-6-26-8-4-10-33(26)28(34)29-19-22-15-23(20-29)17-24(16-22)21-29/h3,5,7,18,22-24,26H,1-2,4,6,8-17,19-21H2/t22?,23?,24?,26-,29?/m1/s1
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13n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316332
PNG
(CHEMBL1095934 | rac-5-Cyclopropyl-5-phenyl-3-{3-[4...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c26-21-8-4-9-22(18-21)29-16-14-28(15-17-29)12-5-13-30-23(31)25(20-10-11-20,27-24(30)32)19-6-2-1-3-7-19/h1-4,6-9,18,20H,5,10-17H2,(H,27,32)
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13n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex


Eur J Med Chem 45: 1295-303 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.053
BindingDB Entry DOI: 10.7270/Q2WM1DKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50206347
PNG
(1-((bicyclo[2.2.1]heptan-2-yl)acetyl)-N-{4-[4-(2-m...)
Show SMILES COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1 |w:24.25,29.30,26.28,TEB:23:24:27.28:30|
Show InChI InChI=1S/C28H43N3O2/c1-33-27-10-3-2-9-26(27)30-17-15-29(16-18-30)13-5-4-7-25-8-6-14-31(25)28(32)21-24-20-22-11-12-23(24)19-22/h2-3,9-10,22-25H,4-8,11-21H2,1H3/t22?,23?,24?,25-/m1/s1
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14.5n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039784
PNG
(1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)21-22-25/h2-5,7-10H,6,11-16H2,1H3
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15n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor


J Med Chem 42: 4952-60 (2000)


BindingDB Entry DOI: 10.7270/Q2833R7H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039784
PNG
(1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)21-22-25/h2-5,7-10H,6,11-16H2,1H3
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15n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT


J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
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))
BDBM50039790
PNG
(1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C21H27N5O/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)22-23-26/h2-5,8-11H,6-7,12-17H2,1H3
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17n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT


J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
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))
BDBM50206348
PNG
(1-(cyclohexylcarbonyl)-N-{4-[4-(2-methoxyphenyl)pi...)
Show SMILES COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C26H41N3O2/c1-31-25-15-6-5-14-24(25)28-20-18-27(19-21-28)16-8-7-12-23-13-9-17-29(23)26(30)22-10-3-2-4-11-22/h5-6,14-15,22-23H,2-4,7-13,16-21H2,1H3/t23-/m1/s1
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19n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186244
PNG
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Show InChI InChI=1S/C26H38N4O4/c1-34-23-12-6-5-11-22(23)29-17-15-28(16-18-29)13-7-8-14-30-24(31)19-21(26(30)33)27-25(32)20-9-3-2-4-10-20/h5-6,11-12,20-21H,2-4,7-10,13-19H2,1H3,(H,27,32)/t21-/m0/s1
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19n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50099498
PNG
(1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C/c3cccnc3)c3ccccc23)CC1
Show InChI InChI=1S/C27H27ClN4O/c28-22-7-3-8-23(19-22)31-16-14-30(15-17-31)12-5-13-32-26-10-2-1-9-24(26)25(27(32)33)18-21-6-4-11-29-20-21/h1-4,6-11,18-20H,5,12-17H2/b25-18-
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20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50099495
PNG
(1-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES COc1ccc(\C=C2\C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1
Show InChI InChI=1S/C29H30ClN3O2/c1-35-25-12-10-22(11-13-25)20-27-26-8-2-3-9-28(26)33(29(27)34)15-5-14-31-16-18-32(19-17-31)24-7-4-6-23(30)21-24/h2-4,6-13,20-21H,5,14-19H2,1H3/b27-20+
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20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50206350
PNG
(CHEMBL390037 | N-((S)-1-{4-[4-(3-chlorophenyl)pipe...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |w:24.24,29.29,26.27,TEB:23:24:27.28:30|
Show InChI InChI=1S/C27H37ClN4O3/c28-22-4-3-5-23(17-22)31-12-10-30(11-13-31)8-1-2-9-32-26(34)18-24(27(32)35)29-25(33)16-21-15-19-6-7-20(21)14-19/h3-5,17,19-21,24H,1-2,6-16,18H2,(H,29,33)/t19?,20?,21?,24-/m0/s1
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21n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316324
PNG
(CHEMBL1098287 | rac-1-{3-[4-(2-Methoxyphenyl)piper...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
Show InChI InChI=1S/C26H32N4O3/c1-33-23-12-5-4-11-22(23)29-18-16-28(17-19-29)14-7-15-30-24(31)26(27-25(30)32)13-6-9-20-8-2-3-10-21(20)26/h2-5,8,10-12H,6-7,9,13-19H2,1H3,(H,27,32)
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23n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex


Eur J Med Chem 45: 1295-303 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.053
BindingDB Entry DOI: 10.7270/Q2WM1DKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186240
PNG
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
Show InChI InChI=1S/C25H36N4O4/c1-33-22-11-5-4-10-21(22)28-16-14-27(15-17-28)12-6-7-13-29-23(30)18-20(25(29)32)26-24(31)19-8-2-3-9-19/h4-5,10-11,19-20H,2-3,6-9,12-18H2,1H3,(H,26,31)/t20-/m0/s1
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23n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50039785
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21-17-7-2-3-8-18(17)22-25/h2-5,7-10H,6,11-16H2,1H3
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24n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT


J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
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 2A


(Rattus norvegicus (rat))
BDBM50099503
PNG
(1-Methyl-1,3-dihydro-indol-2-one | CHEMBL20597)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C21H24ClN3O/c22-18-6-3-7-19(16-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)15-21(25)26/h1-3,5-8,16H,4,9-15H2
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25n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50206354
PNG
(CHEMBL231825 | N-((S)-1-{4-[4-(3-chlorophenyl)pipe...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1
Show InChI InChI=1S/C29H39ClN4O3/c30-23-4-3-5-24(15-23)33-10-8-32(9-11-33)6-1-2-7-34-26(35)16-25(27(34)36)31-28(37)29-17-20-12-21(18-29)14-22(13-20)19-29/h3-5,15,20-22,25H,1-2,6-14,16-19H2,(H,31,37)/t20?,21?,22?,25-,29?/m0/s1
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25n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from serotonin 5HT2A receptor in rat brain cortex


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
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 2A


(Rattus norvegicus (rat))
BDBM50316323
PNG
(CHEMBL1098286 | rac-1-[3-(4-Phenylpiperazin-1-yl)p...)
Show SMILES O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c30-23-25(13-6-9-20-8-4-5-12-22(20)25)26-24(31)29(23)15-7-14-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-5,8,10-12H,6-7,9,13-19H2,(H,26,31)
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25n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex


Eur J Med Chem 45: 1295-303 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.053
BindingDB Entry DOI: 10.7270/Q2WM1DKV
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))
BDBM50206351
PNG
((S)-N-(1-(4-(4-(3-chlorophenyl)piperazin-1-yl)buty...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Show InChI InChI=1S/C25H35ClN4O3/c26-20-9-6-10-21(17-20)29-15-13-28(14-16-29)11-4-5-12-30-23(31)18-22(25(30)33)27-24(32)19-7-2-1-3-8-19/h6,9-10,17,19,22H,1-5,7-8,11-16,18H2,(H,27,32)/t22-/m0/s1
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26n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50206344
PNG
(CHEMBL398209 | N-((S)-1-{4-[4-(3-chlorophenyl)pipe...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
Show InChI InChI=1S/C24H33ClN4O3/c25-19-8-5-9-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-22(30)17-21(24(29)32)26-23(31)18-6-1-2-7-18/h5,8-9,16,18,21H,1-4,6-7,10-15,17H2,(H,26,31)/t21-/m0/s1
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28n/an/an/an/an/an/an/an/a



Université Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus


Bioorg Med Chem 15: 2907-19 (2007)


Article DOI: 10.1016/j.bmc.2007.02.018
BindingDB Entry DOI: 10.7270/Q20G3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50099503
PNG
(1-Methyl-1,3-dihydro-indol-2-one | CHEMBL20597)
Show SMILES Clc1cccc(c1)N1CCN(CCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C21H24ClN3O/c22-18-6-3-7-19(16-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)15-21(25)26/h1-3,5-8,16H,4,9-15H2
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29n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus


Bioorg Med Chem Lett 11: 1229-31 (2001)


BindingDB Entry DOI: 10.7270/Q2TB165M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50316326
PNG
(CHEMBL1098614 | rac-5-Methyl-5-pheny-3-{3-[4-(3-ch...)
Show SMILES CC1(NC(=O)N(CCCN2CCN(CC2)c2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H27ClN4O2/c1-23(18-7-3-2-4-8-18)21(29)28(22(30)25-23)12-6-11-26-13-15-27(16-14-26)20-10-5-9-19(24)17-20/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,30)
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29n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex


Eur J Med Chem 45: 1295-303 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.053
BindingDB Entry DOI: 10.7270/Q2WM1DKV
More data for this
Ligand-Target Pair
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