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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50079362'   
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 4


(GUINEA PIG)
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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6.60n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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6.60n/an/an/an/an/an/an/an/a



Jining Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5-HT4R membrane in Tris buffer assessed as inhibitory constant measured after 60 mins by filter binding metho...


Eur J Med Chem 169: 200-223 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.076
BindingDB Entry DOI: 10.7270/Q2MS3X47
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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US Patent
7.10n/an/an/an/an/an/an/an/a



UNIVERSITE DE CAEN

US Patent


Assay Description
Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax an...


US Patent US9663465 (2017)


BindingDB Entry DOI: 10.7270/Q23J3G2W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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9.5n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins


Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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Article
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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128873
BindingDB Entry DOI: 10.7270/Q2TT4VX9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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10n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT4R (unknown origin)


Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
PDB

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Article
PubMed
n/an/an/an/a 11n/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Activity at 5-HT4R (unknown origin) expressed in COS7 cells assessed as increase in sAPPalpha release


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair