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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50028545   
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))
BDBM50267832
PNG
(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
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7n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267739
PNG
(1-{(2Z)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5-
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11.5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267737
PNG
(1-{5-[4-(1-Naphthyl)piperazin-1-yl]pentyl}-1,3-dih...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O/c31-27-21-23-10-3-5-13-25(23)30(27)16-7-1-6-15-28-17-19-29(20-18-28)26-14-8-11-22-9-2-4-12-24(22)26/h2-5,8-14H,1,6-7,15-21H2
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267738
PNG
(1-{5-[4-(1H)-benzimidazol-4-yl)piperazin-1-yl]pent...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C24H29N5O/c30-23-17-19-7-2-3-9-21(19)29(23)12-5-1-4-11-27-13-15-28(16-14-27)22-10-6-8-20-24(22)26-18-25-20/h2-3,6-10,18H,1,4-5,11-17H2,(H,25,26)
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18.1n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267694
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
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22n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267783
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]but-2-ynyl}-1,3...)
Show SMILES O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H25N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,14-20H2
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26n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50216042
PNG
(1-(4-(4-phenyl-1-piperazinyl)butyl)indolin-2-one |...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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32n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267740
PNG
(1-{(2E)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5+
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39n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267694
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
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47n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267695
PNG
(1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267696
PNG
(1-{5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentyl}-1,...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)26-17-15-25(16-18-26)13-7-2-8-14-27-21-10-4-3-9-20(21)19-24(27)28/h3-6,9-12H,2,7-8,13-19H2,1H3
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63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267738
PNG
(1-{5-[4-(1H)-benzimidazol-4-yl)piperazin-1-yl]pent...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C24H29N5O/c30-23-17-19-7-2-3-9-21(19)29(23)12-5-1-4-11-27-13-15-28(16-14-27)22-10-6-8-20-24(22)26-18-25-20/h2-3,6-10,18H,1,4-5,11-17H2,(H,25,26)
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68n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267740
PNG
(1-{(2E)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5+
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69n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267737
PNG
(1-{5-[4-(1-Naphthyl)piperazin-1-yl]pentyl}-1,3-dih...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O/c31-27-21-23-10-3-5-13-25(23)30(27)16-7-1-6-15-28-17-19-29(20-18-28)26-14-8-11-22-9-2-4-12-24(22)26/h2-5,8-14H,1,6-7,15-21H2
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69n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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74n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50240359
PNG
(1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C26H29N3O/c30-26-23-13-7-9-21-10-8-14-24(25(21)23)29(26)16-6-2-5-15-27-17-19-28(20-18-27)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2
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89n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267833
PNG
(1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-...)
Show SMILES O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
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105n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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124n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50216047
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1-isoindolinon...)
Show SMILES COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-18-19-8-2-3-9-20(19)23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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158n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267786
PNG
(1-[4-(4-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2
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160n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267785
PNG
(1-(4-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)...)
Show SMILES O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H29N3O/c34-30-20-26-7-2-4-10-28(26)33(30)22-24-14-12-23(13-15-24)21-31-16-18-32(19-17-31)29-11-5-8-25-6-1-3-9-27(25)29/h1-15H,16-22H2
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181n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267831
PNG
(1-[4-(3-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2
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193n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267655
PNG
(2-[5-(4-Phenylpiperazin-1-yl)pentyl]isoindolin-1-o...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C23H29N3O/c27-23-22-12-6-5-9-20(22)19-26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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203n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267832
PNG
(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
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219n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267739
PNG
(1-{(2Z)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5-
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250n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267834
PNG
(1-[2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2
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350n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216048
PNG
(2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1-i...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H27N3O/c26-22-21-11-5-4-8-19(21)18-25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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360n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267695
PNG
(1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216042
PNG
(1-(4-(4-phenyl-1-piperazinyl)butyl)indolin-2-one |...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267655
PNG
(2-[5-(4-Phenylpiperazin-1-yl)pentyl]isoindolin-1-o...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C23H29N3O/c27-23-22-12-6-5-9-20(22)19-26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216047
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1-isoindolinon...)
Show SMILES COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-18-19-8-2-3-9-20(19)23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267696
PNG
(1-{5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentyl}-1,...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)26-17-15-25(16-18-26)13-7-2-8-14-27-21-10-4-3-9-20(21)19-24(27)28/h3-6,9-12H,2,7-8,13-19H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267834
PNG
(1-[2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267785
PNG
(1-(4-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)...)
Show SMILES O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H29N3O/c34-30-20-26-7-2-4-10-28(26)33(30)22-24-14-12-23(13-15-24)21-31-16-18-32(19-17-31)29-11-5-8-25-6-1-3-9-27(25)29/h1-15H,16-22H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267784
PNG
(1-(3-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)...)
Show SMILES O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
Show InChI InChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267784
PNG
(1-(3-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)...)
Show SMILES O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
Show InChI InChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267783
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]but-2-ynyl}-1,3...)
Show SMILES O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H25N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,14-20H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267786
PNG
(1-[4-(4-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267831
PNG
(1-[4-(3-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50216048
PNG
(2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1-i...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H27N3O/c26-22-21-11-5-4-8-19(21)18-25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267833
PNG
(1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-...)
Show SMILES O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267832
PNG
(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
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n/an/an/an/a 310n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT7 receptor expressed in CHOK1 cells assessed as increase in cAMP levels by HTRF assay


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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MCE
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PC cid
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UniChem

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Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT7 receptor expressed in CHOK1 cells assessed as increase in cAMP levels by HTRF assay


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair