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BDBM50220503 CHEMBL348890

SMILES: Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1

InChI Key: InChIKey=SBTRHJHOLCAPFT-UHFFFAOYSA-N

Data: 11 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50220503   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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PubMed
7.20n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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7.20n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT7 receptor by the displacement of [3H]-5-CT] in human recombinant receptors in mammalian cell


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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7.20n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Ability to displace the radioligand [3H]5-carboximidotryptamine ([3H]-5-CT) from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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316n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT1A receptor by the displacement of [3H]-8-OH-DPAT] in human recombinant receptors in mammalian cell


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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PubMed
316n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT1A receptor (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-CT]


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor by the displacement of [3H]mesulergine] in human recombinant receptors in mammalian cell


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2 receptor by the displacement of [3H]-ketanserin] in rat cerebral cortex


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]ketanserin in rat cerebral cortex membrane


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
PDB

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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT1B receptor by the displacement of [3H]-5-CT] in human recombinant receptors in mammalian cell


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair
Serotonin 4 (5-HT4) receptor


(GUINEA PIG)
BDBM50220503
PNG
(CHEMBL348890)
Show SMILES Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
Show InChI InChI=1S/C26H28Cl2N2O/c27-20-7-5-18(6-8-20)19-11-16-30(17-12-19)15-2-1-13-26-14-3-4-21-22(28)9-10-23(24(21)26)29-25(26)31/h5-11H,1-4,12-17H2,(H,29,31)
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<1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT4 receptor by the displacement of [3H]GR-113808 in guinea-pig striatum


Bioorg Med Chem Lett 13: 61-4 (2003)


BindingDB Entry DOI: 10.7270/Q2959KRF
More data for this
Ligand-Target Pair