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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50045296   
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))
BDBM50055575
PNG
(CHEMBL3321794)
Show SMILES O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-6,9-12H,7-8,13-18H2/b2-1+
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0.700n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055574
PNG
(CHEMBL3321798)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C23H32N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-2,5-6,10,12,19,21H,3-4,7-9,11,13-18H2/b2-1+/t19-,21-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
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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7n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055580
PNG
(CHEMBL3321778)
Show SMILES O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H28N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h3-6,9-12H,1-2,7-8,13-18H2
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24n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055581
PNG
(CHEMBL3321777)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C22H26N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h2-5,8-11H,1,6-7,12-17H2
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28n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055578
PNG
(CHEMBL3321795)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C21H30N2O/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/h3-4,8,10,17,19H,1-2,5-7,9,11-16H2/t17-,19-/m1/s1
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29n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055579
PNG
(CHEMBL3321793)
Show SMILES O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h4-7,10-13H,1-3,8-9,14-19H2
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36n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055577
PNG
(CHEMBL3321796)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C22H32N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h4-5,9,11,18,20H,1-3,6-8,10,12-17H2/t18-,20-/m1/s1
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41n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055576
PNG
(CHEMBL3321797)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C24H36N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h6-7,11,13,20,22H,1-5,8-10,12,14-19H2/t20-,22-/m1/s1
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62n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055578
PNG
(CHEMBL3321795)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C21H30N2O/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/h3-4,8,10,17,19H,1-2,5-7,9,11-16H2/t17-,19-/m1/s1
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470n/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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055577
PNG
(CHEMBL3321796)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C22H32N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h4-5,9,11,18,20H,1-3,6-8,10,12-17H2/t18-,20-/m1/s1
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491n/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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055581
PNG
(CHEMBL3321777)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C22H26N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h2-5,8-11H,1,6-7,12-17H2
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523n/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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055580
PNG
(CHEMBL3321778)
Show SMILES O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H28N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h3-6,9-12H,1-2,7-8,13-18H2
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576n/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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055575
PNG
(CHEMBL3321794)
Show SMILES O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-6,9-12H,7-8,13-18H2/b2-1+
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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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055576
PNG
(CHEMBL3321797)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C24H36N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h6-7,11,13,20,22H,1-5,8-10,12,14-19H2/t20-,22-/m1/s1
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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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055574
PNG
(CHEMBL3321798)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C23H32N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-2,5-6,10,12,19,21H,3-4,7-9,11,13-18H2/b2-1+/t19-,21-/m1/s1
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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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50055579
PNG
(CHEMBL3321793)
Show SMILES O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h4-7,10-13H,1-3,8-9,14-19H2
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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 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibition in serotonin-induced increase in cAMP level after 45 mins by HTR...


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055575
PNG
(CHEMBL3321794)
Show SMILES O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-6,9-12H,7-8,13-18H2/b2-1+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibition in serotonin-induced increase in cAMP level after 45 mins by HTR...


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055574
PNG
(CHEMBL3321798)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C23H32N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-2,5-6,10,12,19,21H,3-4,7-9,11,13-18H2/b2-1+/t19-,21-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibition in serotonin-induced increase in cAMP level after 45 mins by HTR...


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055574
PNG
(CHEMBL3321798)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1S/C23H32N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-2,5-6,10,12,19,21H,3-4,7-9,11,13-18H2/b2-1+/t19-,21-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase in cAMP level after 45 mins by HTRF assay


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
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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n/an/an/an/a 17n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase in cAMP level after 45 mins by HTRF assay


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50055575
PNG
(CHEMBL3321794)
Show SMILES O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-6,9-12H,7-8,13-18H2/b2-1+
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n/an/an/an/a 230n/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase in cAMP level after 45 mins by HTRF assay


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair