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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'verdie' and Initial = 'p'   
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 7


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/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 beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


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


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<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 human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
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
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003916
PNG
(CHEMBL3235745)
Show SMILES CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C28H38N4O2S/c1-35-26-13-8-7-12-24(26)31-18-16-30(17-19-31)15-9-3-2-4-14-27(33)32-21-23-11-6-5-10-22(23)20-25(32)28(29)34/h5-8,10-13,25H,2-4,9,14-21H2,1H3,(H2,29,34)/t25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186245
PNG
((2S)-1-[(adamantan-1-yl)carbonyl]-N-{4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |r,TLB:24:26:29.28.33:31,THB:24:26:29:33.32.31,27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C31H46N4O3/c1-38-28-9-3-2-7-26(28)34-15-13-33(14-16-34)11-5-4-10-32-29(36)27-8-6-12-35(27)30(37)31-20-23-17-24(21-31)19-25(18-23)22-31/h2-3,7,9,23-25,27H,4-6,8,10-22H2,1H3,(H,32,36)/t23?,24?,25?,27-,31?/m0/s1
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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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003945
PNG
(CHEMBL3235739)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C21H30Cl2N4O2/c22-16-6-4-7-17(20(16)23)26-14-12-25(13-15-26)10-3-1-2-9-19(28)27-11-5-8-18(27)21(24)29/h4,6-7,18H,1-3,5,8-15H2,(H2,24,29)/t18-/m0/s1
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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 human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50267043
PNG
(2-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-2-az...)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C21H28ClN3O2/c22-17-5-4-6-18(15-17)24-12-9-23(10-13-24)11-14-25-19(26)16-21(20(25)27)7-2-1-3-8-21/h4-6,15H,1-3,7-14,16H2
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4.30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat hippocampus


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50026916
PNG
(2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-2-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-8-4-3-7-18(19)24-14-11-23(12-15-24)13-16-25-20(26)17-22(21(25)27)9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50297895
PNG
(4-(2-methoxyphenyl)-N-(N-(naphthalen-1-ylmethyl)ca...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
Show InChI InChI=1S/C24H27N5O2/c1-31-22-12-5-4-11-21(22)28-13-15-29(16-14-28)24(30)27-23(25)26-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3,(H3,25,26,27,30)
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6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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6.05n/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 cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50297894
PNG
(2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...)
Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1
Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003919
PNG
(CHEMBL3235748)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O3/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003933
PNG
(CHEMBL3235727)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C22H34N4O2S/c1-29-20-10-5-4-8-18(20)25-16-14-24(15-17-25)12-6-2-3-11-21(27)26-13-7-9-19(26)22(23)28/h4-5,8,10,19H,2-3,6-7,9,11-17H2,1H3,(H2,23,28)/t19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50267043
PNG
(2-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-2-az...)
Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Show InChI InChI=1S/C21H28ClN3O2/c22-17-5-4-6-18(15-17)24-12-9-23(10-13-24)11-14-25-19(26)16-21(20(25)27)7-2-1-3-8-21/h4-6,15H,1-3,7-14,16H2
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15n/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 cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003927
PNG
(CHEMBL3235756)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C26H32Cl2N4O2/c27-21-9-6-10-22(25(21)28)31-15-13-30(14-16-31)12-5-1-2-11-24(33)32-18-20-8-4-3-7-19(20)17-23(32)26(29)34/h3-4,6-10,23H,1-2,5,11-18H2,(H2,29,34)/t23-/m0/s1
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186255
PNG
((S)-1-(cyclohexanecarbonyl)-N-(4-(4-(2-methoxyphen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C27H40N4O4/c1-35-24-12-6-5-11-22(24)30-19-17-29(18-20-30)16-8-7-15-28-26(33)23-13-14-25(32)31(23)27(34)21-9-3-2-4-10-21/h5-6,11-12,21,23H,2-4,7-10,13-20H2,1H3,(H,28,33)/t23-/m0/s1
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17n/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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50003929
PNG
(CHEMBL3235758)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C26H31N5O3/c27-25(33)22-17-19-7-1-2-8-20(19)18-31(22)24(32)11-5-6-12-29-13-15-30(16-14-29)26-21-9-3-4-10-23(21)34-28-26/h1-4,7-10,22H,5-6,11-18H2,(H2,27,33)/t22-/m0/s1
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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]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003914
PNG
(CHEMBL3235743)
Show SMILES CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C26H34N4O2S/c1-33-24-11-5-4-10-22(24)29-16-14-28(15-17-29)13-7-6-12-25(31)30-19-21-9-3-2-8-20(21)18-23(30)26(27)32/h2-5,8-11,23H,6-7,12-19H2,1H3,(H2,27,32)/t23-/m0/s1
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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 human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186253
PNG
((S)-1-(cyclohexanecarbonyl)-N-(4-(4-(2-methoxyphen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C27H42N4O3/c1-34-25-14-6-5-12-23(25)30-20-18-29(19-21-30)16-8-7-15-28-26(32)24-13-9-17-31(24)27(33)22-10-3-2-4-11-22/h5-6,12,14,22,24H,2-4,7-11,13,15-21H2,1H3,(H,28,32)/t24-/m0/s1
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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]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50003930
PNG
(CHEMBL3235759)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C27H33N5O3/c28-26(34)23-18-20-8-3-4-9-21(20)19-32(23)25(33)12-2-1-7-13-30-14-16-31(17-15-30)27-22-10-5-6-11-24(22)35-29-27/h3-6,8-11,23H,1-2,7,12-19H2,(H2,28,34)/t23-/m0/s1
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22n/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 beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003934
PNG
(CHEMBL3235728)
Show SMILES CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C23H36N4O2S/c1-30-21-11-6-5-9-19(21)26-17-15-25(16-18-26)13-7-3-2-4-12-22(28)27-14-8-10-20(27)23(24)29/h5-6,9,11,20H,2-4,7-8,10,12-18H2,1H3,(H2,24,29)/t20-/m0/s1
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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]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50267016
PNG
(CHEMBL514202 | N-[2-{4-(2-Methoxyphenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1
Show InChI InChI=1S/C23H33N3O3/c1-29-21-10-6-5-9-20(21)25-14-11-24(12-15-25)13-16-26-22(27)17-19(23(26)28)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3
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24n/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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50003931
PNG
(CHEMBL3235760)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C28H35N5O3/c29-27(35)24-19-21-9-4-5-10-22(21)20-33(24)26(34)13-3-1-2-8-14-31-15-17-32(18-16-31)28-23-11-6-7-12-25(23)36-30-28/h4-7,9-12,24H,1-3,8,13-20H2,(H2,29,35)/t24-/m0/s1
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28n/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 beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50297894
PNG
(2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...)
Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1
Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2
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35n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat hippocampus


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
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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36n/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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003942
PNG
(CHEMBL3235736)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H31ClN4O2/c22-17-6-4-7-18(16-17)25-14-12-24(13-15-25)10-3-1-2-9-20(27)26-11-5-8-19(26)21(23)28/h4,6-7,16,19H,1-3,5,8-15H2,(H2,23,28)/t19-/m0/s1
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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]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186248
PNG
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((S)-1-(3-(4-(2-me...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:23:24:27.28:30|
Show InChI InChI=1S/C27H38N4O4/c1-35-24-6-3-2-5-23(24)30-13-11-29(12-14-30)9-4-10-31-26(33)18-22(27(31)34)28-25(32)17-21-16-19-7-8-20(21)15-19/h2-3,5-6,19-22H,4,7-18H2,1H3,(H,28,32)/t19?,20?,21?,22-/m0/s1
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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 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50266905
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/C25H29ClN4O3/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/h1-3,6-10,17,22H,4-5,11-16,18H2,(H,27,32)/t22-/m0/s1
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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]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003937
PNG
(CHEMBL3235731)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C22H34N4O3/c1-29-20-10-5-4-8-18(20)25-16-14-24(15-17-25)12-6-2-3-11-21(27)26-13-7-9-19(26)22(23)28/h4-5,8,10,19H,2-3,6-7,9,11-17H2,1H3,(H2,23,28)/t19-/m0/s1
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44n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003932
PNG
(CHEMBL3235726)
Show SMILES CSc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C21H32N4O2S/c1-28-19-9-3-2-7-17(19)24-15-13-23(14-16-24)11-5-4-10-20(26)25-12-6-8-18(25)21(22)27/h2-3,7,9,18H,4-6,8,10-16H2,1H3,(H2,22,27)/t18-/m0/s1
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47n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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47n/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 cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50297896
PNG
(CHEMBL561346 | N-[[(2-ethoxybenzyl)amino](imino)me...)
Show SMILES CCOc1ccccc1CN=C(N)NC(=O)NC |w:10.10|
Show InChI InChI=1S/C12H18N4O2/c1-3-18-10-7-5-4-6-9(10)8-15-11(13)16-12(17)14-2/h4-7H,3,8H2,1-2H3,(H4,13,14,15,16,17)
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49n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50003947
PNG
(CHEMBL3235741)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C22H31N5O3/c23-21(29)18-8-6-12-27(18)20(28)10-2-1-5-11-25-13-15-26(16-14-25)22-17-7-3-4-9-19(17)30-24-22/h3-4,7,9,18H,1-2,5-6,8,10-16H2,(H2,23,29)/t18-/m0/s1
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50n/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 beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50003914
PNG
(CHEMBL3235743)
Show SMILES CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C26H34N4O2S/c1-33-24-11-5-4-10-22(24)29-16-14-28(15-17-29)13-7-6-12-25(31)30-19-21-9-3-2-8-20(21)18-23(30)26(27)32/h2-5,8-11,23H,6-7,12-19H2,1H3,(H2,27,32)/t23-/m0/s1
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51n/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 beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003939
PNG
(CHEMBL3235733)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1ccccc1O |r|
Show InChI InChI=1S/C20H30N4O3/c21-20(27)17-7-5-11-24(17)19(26)9-3-4-10-22-12-14-23(15-13-22)16-6-1-2-8-18(16)25/h1-2,6,8,17,25H,3-5,7,9-15H2,(H2,21,27)/t17-/m0/s1
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52n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186250
PNG
(Adamantane-1-carboxylic acid ((S)-1-{3-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:26:27:25.24.30:31,THB:28:27:24:30.29.31,28:29:26.27.32:24,26:25:27.32.28:31|
Show InChI InChI=1S/C29H40N4O4/c1-37-25-6-3-2-5-24(25)32-11-9-31(10-12-32)7-4-8-33-26(34)16-23(27(33)35)30-28(36)29-17-20-13-21(18-29)15-22(14-20)19-29/h2-3,5-6,20-23H,4,7-19H2,1H3,(H,30,36)/t20?,21?,22?,23-,29?/m0/s1
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63n/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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50297894
PNG
(2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...)
Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1
Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2
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65n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor in rat cortex


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50186242
PNG
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r|
Show InChI InChI=1S/C21H30N4O4/c1-16(26)22-17-15-20(27)25(21(17)28)10-6-5-9-23-11-13-24(14-12-23)18-7-3-4-8-19(18)29-2/h3-4,7-8,17H,5-6,9-15H2,1-2H3,(H,22,26)/t17-/m0/s1
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69n/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 hippocampal membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003921
PNG
(CHEMBL3235750)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1O |r|
Show InChI InChI=1S/C26H34N4O3/c27-26(33)23-18-20-8-3-4-9-21(20)19-30(23)25(32)12-2-1-7-13-28-14-16-29(17-15-28)22-10-5-6-11-24(22)31/h3-6,8-11,23,31H,1-2,7,12-19H2,(H2,27,33)/t23-/m0/s1
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72n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50266905
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/C25H29ClN4O3/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/h1-3,6-10,17,22H,4-5,11-16,18H2,(H,27,32)/t22-/m0/s1
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75n/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 cortical membrane


Eur J Med Chem 44: 800-8 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.021
BindingDB Entry DOI: 10.7270/Q20Z7468
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003920
PNG
(CHEMBL3235749)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C29H32N4O3/c1-36-27-9-5-4-8-25(27)32-16-14-31(15-17-32)19-21-10-12-22(13-11-21)29(35)33-20-24-7-3-2-6-23(24)18-26(33)28(30)34/h2-13,26H,14-20H2,1H3,(H2,30,34)/t26-/m0/s1
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77n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
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