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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50044114   
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 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


(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


(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 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


(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 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 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 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


(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


(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 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


(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 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
5-hydroxytryptamine receptor 7


(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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78n/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))
BDBM50003944
PNG
(CHEMBL3235738)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C20H28Cl2N4O2/c21-15-5-3-6-16(19(15)22)25-13-11-24(12-14-25)9-2-1-8-18(27)26-10-4-7-17(26)20(23)28/h3,5-6,17H,1-2,4,7-14H2,(H2,23,28)/t17-/m0/s1
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83n/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))
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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89n/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))
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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95n/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))
BDBM50003913
PNG
(CHEMBL3235742)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C23H33N5O3/c24-22(30)19-9-7-13-28(19)21(29)11-3-1-2-6-12-26-14-16-27(17-15-26)23-18-8-4-5-10-20(18)31-25-23/h4-5,8,10,19H,1-3,6-7,9,11-17H2,(H2,24,30)/t19-/m0/s1
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101n/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))
BDBM50003918
PNG
(CHEMBL3235747)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C26H34N4O3/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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107n/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))
BDBM50003926
PNG
(CHEMBL3235755)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H33FN4O2/c27-22-9-11-23(12-10-22)30-16-14-29(15-17-30)13-5-1-2-8-25(32)31-19-21-7-4-3-6-20(21)18-24(31)26(28)33/h3-4,6-7,9-12,24H,1-2,5,8,13-19H2,(H2,28,33)/t24-/m0/s1
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107n/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))
BDBM50003946
PNG
(CHEMBL3235740)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C21H29N5O3/c22-20(28)17-7-5-11-26(17)19(27)9-3-4-10-24-12-14-25(15-13-24)21-16-6-1-2-8-18(16)29-23-21/h1-2,6,8,17H,3-5,7,9-15H2,(H2,22,28)/t17-/m0/s1
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108n/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))
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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111n/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))
BDBM50003944
PNG
(CHEMBL3235738)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C20H28Cl2N4O2/c21-15-5-3-6-16(19(15)22)25-13-11-24(12-14-25)9-2-1-8-18(27)26-10-4-7-17(26)20(23)28/h3,5-6,17H,1-2,4,7-14H2,(H2,23,28)/t17-/m0/s1
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113n/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))
BDBM50003917
PNG
(CHEMBL3235746)
Show SMILES CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C29H32N4O2S/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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122n/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))
BDBM50003913
PNG
(CHEMBL3235742)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C23H33N5O3/c24-22(30)19-9-7-13-28(19)21(29)11-3-1-2-6-12-26-14-16-27(17-15-26)23-18-8-4-5-10-20(18)31-25-23/h4-5,8,10,19H,1-3,6-7,9,11-17H2,(H2,24,30)/t19-/m0/s1
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122n/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))
BDBM50003941
PNG
(CHEMBL3235735)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1F |r|
Show InChI InChI=1S/C21H31FN4O2/c22-17-7-3-4-8-18(17)25-15-13-24(14-16-25)11-5-1-2-10-20(27)26-12-6-9-19(26)21(23)28/h3-4,7-8,19H,1-2,5-6,9-16H2,(H2,23,28)/t19-/m0/s1
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141n/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))
BDBM50003917
PNG
(CHEMBL3235746)
Show SMILES CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C29H32N4O2S/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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148n/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))
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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153n/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))
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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163n/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))
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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179n/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))
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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188n/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))
BDBM50003924
PNG
(CHEMBL3235753)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClN4O2/c26-21-8-10-22(11-9-21)29-15-13-28(14-16-29)12-4-3-7-24(31)30-18-20-6-2-1-5-19(20)17-23(30)25(27)32/h1-2,5-6,8-11,23H,3-4,7,12-18H2,(H2,27,32)/t23-/m0/s1
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211n/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))
BDBM50003928
PNG
(CHEMBL3235757)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N4O2/c29-23-6-3-7-24(26(23)30)33-14-12-32(13-15-33)17-19-8-10-20(11-9-19)28(36)34-18-22-5-2-1-4-21(22)16-25(34)27(31)35/h1-11,25H,12-18H2,(H2,31,35)/t25-/m0/s1
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212n/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))
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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214n/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))
BDBM50003936
PNG
(CHEMBL3235730)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C21H32N4O3/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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214n/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))
BDBM50003924
PNG
(CHEMBL3235753)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClN4O2/c26-21-8-10-22(11-9-21)29-15-13-28(14-16-29)12-4-3-7-24(31)30-18-20-6-2-1-5-19(20)17-23(30)25(27)32/h1-2,5-6,8-11,23H,3-4,7,12-18H2,(H2,27,32)/t23-/m0/s1
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223n/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))
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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230n/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))
BDBM50003940
PNG
(CHEMBL3235734)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C21H31ClN4O2/c22-17-7-3-4-8-18(17)25-15-13-24(14-16-25)11-5-1-2-10-20(27)26-12-6-9-19(26)21(23)28/h3-4,7-8,19H,1-2,5-6,9-16H2,(H2,23,28)/t19-/m0/s1
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232n/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))
BDBM50003922
PNG
(CHEMBL3235751)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H33ClN4O2/c27-22-10-5-6-11-23(22)30-16-14-29(15-17-30)13-7-1-2-12-25(32)31-19-21-9-4-3-8-20(21)18-24(31)26(28)33/h3-6,8-11,24H,1-2,7,12-19H2,(H2,28,33)/t24-/m0/s1
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236n/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))
BDBM50003925
PNG
(CHEMBL3235754)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H31FN4O2/c26-21-8-10-22(11-9-21)29-15-13-28(14-16-29)12-4-3-7-24(31)30-18-20-6-2-1-5-19(20)17-23(30)25(27)32/h1-2,5-6,8-11,23H,3-4,7,12-18H2,(H2,27,32)/t23-/m0/s1
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295n/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))
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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302n/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
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