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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'paluchowska' and Initial = 'mh'   
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))		BDBM29563
PNG
(1-(m-trifluorophenyl)piperazine, 10)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h3-5,16,18-19H,1-2,6-15H2
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 0.300 -56.5n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
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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 0.550n/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 7


(Homo sapiens (Human))		BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29567
PNG
(1-(m-trifluorophenyl)piperazine, 14)
Show SMILES CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
Show InChI InChI=1S/C23H28F3N3O2/c1-15-16(2)22(31)29(21(15)30)19-8-6-18(7-9-19)27-10-12-28(13-11-27)20-5-3-4-17(14-20)23(24,25)26/h3-5,14,18-19H,6-13H2,1-2H3
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 1.30 -52.8n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29565
PNG
(1-(m-trifluorophenyl)piperazine, 12)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h1-5,16,18-19,21-22H,6-15H2
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 1.5 -52.4n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29566
PNG
(1-(m-trifluorophenyl)piperazine, 13)
Show SMILES CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
Show InChI InChI=1S/C21H26F3N3O2/c1-15-16(2)20(29)27(19(15)28)9-4-3-8-25-10-12-26(13-11-25)18-7-5-6-17(14-18)21(22,23)24/h5-7,14H,3-4,8-13H2,1-2H3
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 2.20 -51.4n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29561
PNG
(1-(m-trifluorophenyl)piperazine, 8)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.43,9.3,;-2.66,10.63,;-4.97,9.24,;-5.69,7.88,;-4.88,6.58,;-3.34,6.63,;-2.57,5.3,)|
Show InChI InChI=1S/C22H28F3N3O2/c23-22(24,25)16-3-1-4-19(15-16)27-13-11-26(12-14-27)17-7-9-18(10-8-17)28-20(29)5-2-6-21(28)30/h1,3-4,15,17-18H,2,5-14H2
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 2.60 -51.0n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29560
PNG
(1-(m-trifluorophenyl)piperazine, 7)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2
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 3 -50.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357975
PNG
(CHEMBL1917341)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C24H30N4O3S/c1-31-24-11-5-4-10-23(24)28-16-14-27(15-17-28)13-7-6-12-26-32(29,30)21-18-20-8-2-3-9-22(20)25-19-21/h2-5,8-11,18-19,26H,6-7,12-17H2,1H3
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 3.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
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
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))		BDBM29563
PNG
(1-(m-trifluorophenyl)piperazine, 10)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h3-5,16,18-19H,1-2,6-15H2
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 4n/an/an/an/an/an/an/an/a



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
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))		BDBM29558
PNG
(1-(m-trifluorophenyl)piperazine, 5)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
Show InChI InChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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 4 -49.9n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29557
PNG
(1-(m-trifluorophenyl)piperazine, 4)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.15,9.43,;-2.38,10.77,;-4.69,9.37,;-5.1,7.88,;-3.82,7.03,;-3.42,5.54,)|
Show InChI InChI=1S/C21H26F3N3O2/c22-21(23,24)15-2-1-3-18(14-15)26-12-10-25(11-13-26)16-4-6-17(7-5-16)27-19(28)8-9-20(27)29/h1-3,14,16-17H,4-13H2
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 4 -49.9n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29562
PNG
(1-(m-trifluorophenyl)piperazine, 9)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1 |t:22|
Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h5-7,16H,1-4,8-15H2
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 5.90 -48.9n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
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 7


(Homo sapiens (Human))		BDBM50357995
PNG
(CHEMBL202780)
Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1
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 8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29559
PNG
(1-(m-trifluorophenyl)piperazine, 6)
Show SMILES CC1(C)CC(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1 |(-6.78,6.79,;-5.69,7.88,;-6.78,8.97,;-4.97,9.24,;-3.43,9.3,;-2.66,10.63,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.34,6.63,;-2.57,5.3,;-4.88,6.58,)|
Show InChI InChI=1S/C24H32F3N3O2/c1-23(2)15-21(31)30(22(32)16-23)19-8-6-18(7-9-19)28-10-12-29(13-11-28)20-5-3-4-17(14-20)24(25,26)27/h3-5,14,18-19H,6-13,15-16H2,1-2H3
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 9 -47.8n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357988
PNG
(CHEMBL1917354)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-20-22-10-4-5-11-24(22)27-21-23)15-9-8-14-28-16-18-29(19-17-28)25-12-6-7-13-26(25)33-2/h4-7,10-13,20-21H,3,8-9,14-19H2,1-2H3
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 9.30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50357993
PNG
(CHEMBL1917359)
Show SMILES CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C24H35N3O2S/c1-2-27(30(28,29)23-13-7-11-21-12-8-15-25-24(21)23)17-6-5-16-26-18-14-20-9-3-4-10-22(20)19-26/h7-8,11-13,15,20,22H,2-6,9-10,14,16-19H2,1H3
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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]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
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))		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))		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))		BDBM50357976
PNG
(CHEMBL1917342)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Show InChI InChI=1S/C23H28N4O3S/c1-30-23-8-3-2-7-22(23)27-16-14-26(15-17-27)13-5-12-25-31(28,29)20-9-10-21-19(18-20)6-4-11-24-21/h2-4,6-11,18,25H,5,12-17H2,1H3
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 18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50154711
PNG
(CHEMBL364124 | N-Ethyl-N-{3-[4-(2-methoxy-phenyl)-...)
Show SMILES CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H33N3O3S/c1-4-26(30(27,28)21-12-10-20(2)11-13-21)15-7-14-24-16-18-25(19-17-24)22-8-5-6-9-23(22)29-3/h5-6,8-13H,4,7,14-19H2,1-3H3
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 19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM29556
PNG
(1-(m-trifluorophenyl)piperazine, 3)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCC2=O)CC1
Show InChI InChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-17(26)6-7-18(25)27/h3-5,14H,1-2,6-13H2
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 21 -45.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM29560
PNG
(1-(m-trifluorophenyl)piperazine, 7)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2
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 21 -45.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357990
PNG
(CHEMBL1917356)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-12-13-24-22(21-23)9-8-14-27-24)16-7-6-15-28-17-19-29(20-18-28)25-10-4-5-11-26(25)33-2/h4-5,8-14,21H,3,6-7,15-20H2,1-2H3
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 21n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
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
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))		BDBM29567
PNG
(1-(m-trifluorophenyl)piperazine, 14)
Show SMILES CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
Show InChI InChI=1S/C23H28F3N3O2/c1-15-16(2)22(31)29(21(15)30)19-8-6-18(7-9-19)27-10-12-28(13-11-27)20-5-3-4-17(14-20)23(24,25)26/h3-5,14,18-19H,6-13H2,1-2H3
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 24n/an/an/an/an/an/an/an/a



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357989
PNG
(CHEMBL1917355)
Show SMILES CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C25H32N4O3S/c1-3-29(33(30,31)22-11-12-23-21(20-22)8-6-13-26-23)15-7-14-27-16-18-28(19-17-27)24-9-4-5-10-25(24)32-2/h4-6,8-13,20H,3,7,14-19H2,1-2H3
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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]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50357989
PNG
(CHEMBL1917355)
Show SMILES CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C25H32N4O3S/c1-3-29(33(30,31)22-11-12-23-21(20-22)8-6-13-26-23)15-7-14-27-16-18-28(19-17-27)24-9-4-5-10-25(24)32-2/h4-6,8-13,20H,3,7,14-19H2,1-2H3
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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]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))		BDBM29562
PNG
(1-(m-trifluorophenyl)piperazine, 9)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1 |t:22|
Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h5-7,16H,1-4,8-15H2
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 30n/an/an/an/an/an/an/an/a



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357991
PNG
(CHEMBL1917357)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)25-14-8-10-22-11-9-15-27-26(22)25)17-7-6-16-28-18-20-29(21-19-28)23-12-4-5-13-24(23)33-2/h4-5,8-15H,3,6-7,16-21H2,1-2H3
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 30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM29564
PNG
(1-(m-trifluorophenyl)piperazine, 11)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3CC=CCC3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h1-2,5-7,16,19-20H,3-4,8-15H2
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 31 -44.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50357994
PNG
(CHEMBL1917360)
Show SMILES CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C25H37N3O2S/c1-2-28(31(29,30)24-14-8-12-22-13-9-16-26-25(22)24)18-7-3-6-17-27-19-15-21-10-4-5-11-23(21)20-27/h8-9,12-14,16,21,23H,2-7,10-11,15,17-20H2,1H3
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 33n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083040
PNG
(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...)
Show SMILES O=C1N(C2CCC(CC2)N2CCc3ccccc3C2)C(=O)c2ccccc12 |(6.21,-12.03,;6.11,-13.57,;7.31,-14.57,;8.8,-14.25,;9.29,-12.79,;10.81,-12.47,;11.84,-13.64,;11.35,-15.09,;9.83,-15.42,;13.34,-13.32,;13.83,-11.86,;15.33,-11.53,;16.36,-12.66,;17.87,-12.33,;18.91,-13.48,;18.42,-14.95,;16.92,-15.27,;15.89,-14.14,;14.38,-14.46,;6.72,-16,;7.55,-17.32,;5.18,-15.89,;4.05,-16.94,;2.6,-16.5,;2.22,-15.02,;3.34,-13.95,;4.83,-14.39,)|
Show InChI InChI=1S/C23H24N2O2/c26-22-20-7-3-4-8-21(20)23(27)25(22)19-11-9-18(10-12-19)24-14-13-16-5-1-2-6-17(16)15-24/h1-8,18-19H,9-15H2
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 34n/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))		BDBM29564
PNG
(1-(m-trifluorophenyl)piperazine, 11)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3CC=CCC3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h1-2,5-7,16,19-20H,3-4,8-15H2
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 34 -44.3n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357978
PNG
(CHEMBL1917344)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C23H28N4O3S/c1-30-21-10-3-2-9-20(21)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-11-4-7-19-8-5-12-24-23(19)22/h2-5,7-12,25H,6,13-18H2,1H3
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 37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50357991
PNG
(CHEMBL1917357)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)25-14-8-10-22-11-9-15-27-26(22)25)17-7-6-16-28-18-20-29(21-19-28)23-12-4-5-13-24(23)33-2/h4-5,8-15H,3,6-7,16-21H2,1-2H3
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 37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50357988
PNG
(CHEMBL1917354)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-20-22-10-4-5-11-24(22)27-21-23)15-9-8-14-28-16-18-29(19-17-28)25-12-6-7-13-26(25)33-2/h4-7,10-13,20-21H,3,8-9,14-19H2,1-2H3
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 38n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50357977
PNG
(CHEMBL1917343)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Show InChI InChI=1S/C24H30N4O3S/c1-31-24-9-3-2-8-23(24)28-17-15-27(16-18-28)14-5-4-13-26-32(29,30)21-10-11-22-20(19-21)7-6-12-25-22/h2-3,6-12,19,26H,4-5,13-18H2,1H3
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 40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039786
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-20-16-6-2-3-7-17(16)21-24/h2-9H,10-15H2,1H3
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 41n/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 7


(Homo sapiens (Human))		BDBM50357990
PNG
(CHEMBL1917356)
Show SMILES CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-12-13-24-22(21-23)9-8-14-27-24)16-7-6-15-28-17-19-29(20-18-28)25-10-4-5-11-26(25)33-2/h4-5,8-14,21H,3,6-7,15-20H2,1-2H3
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 41n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting

Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039789
PNG
(1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)20-21-24/h2-9H,10-15H2,1H3
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 42n/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
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))		BDBM29565
PNG
(1-(m-trifluorophenyl)piperazine, 12)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h1-5,16,18-19,21-22H,6-15H2
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 43n/an/an/an/an/an/an/an/a



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM29558
PNG
(1-(m-trifluorophenyl)piperazine, 5)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
Show InChI InChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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 46 -43.6n/an/an/an/an/a7.437



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083045
PNG
(1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-cyclohe...)
Show SMILES COc1ccccc1N1CCN(CC1)C1CCCC(C1)n1nnc2ccccc12
Show InChI InChI=1S/C23H29N5O/c1-29-23-12-5-4-11-22(23)27-15-13-26(14-16-27)18-7-6-8-19(17-18)28-21-10-3-2-9-20(21)24-25-28/h2-5,9-12,18-19H,6-8,13-17H2,1H3
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 47n/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
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))		BDBM29566
PNG
(1-(m-trifluorophenyl)piperazine, 13)
Show SMILES CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
Show InChI InChI=1S/C21H26F3N3O2/c1-15-16(2)20(29)27(19(15)28)9-4-3-8-25-10-12-26(13-11-25)18-7-5-6-17(14-18)21(22,23)24/h5-7,14H,3-4,8-13H2,1-2H3
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 48n/an/an/an/an/an/an/an/a



Polish Academy of Science



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...

Bioorg Med Chem 15: 7116-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.029
BindingDB Entry DOI: 10.7270/Q2G15Z6G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50083043
PNG
((3aS,7aR)-2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-b...)
Show SMILES O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H28N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-2,7-8,18-19H,3-6,9-15H2/t18-,19+
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 50n/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
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