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BDBM50220558 CHEMBL418888

SMILES: Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1

InChI Key: InChIKey=WFTIQBHOHOELTR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50220558   
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))
BDBM50220558
PNG
(CHEMBL418888)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
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PC cid
PC sid
UniChem

Similars

PubMed
3.5n/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 7


(Homo sapiens (Human))
BDBM50220558
PNG
(CHEMBL418888)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50220558
PNG
(CHEMBL418888)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
66n/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 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50220558
PNG
(CHEMBL418888)
Show SMILES Fc1ccc(cc1)C1=CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1 |t:8|
Show InChI InChI=1S/C26H29FN2O/c27-22-10-8-19(9-11-22)20-12-17-29(18-13-20)16-2-1-14-26-15-4-6-21-5-3-7-23(24(21)26)28-25(26)30/h3,5,7-12H,1-2,4,6,13-18H2,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cortex membranes using [3H]ketanserin as the radioligand


J Med Chem 45: 2197-206 (2002)


Article DOI: 10.1021/jm0104264
BindingDB Entry DOI: 10.7270/Q2S46VRM
More data for this
Ligand-Target Pair