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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50056393'   
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


(Homo sapiens (Human))
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
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12.5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4C receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
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14.3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]-GR-113,...


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
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23n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4A receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
PDB

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32n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4D receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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PubMed
55n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4B receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056393
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O3/c1-26-19-14-18(22)17(21)13-16(19)20(25)27-12-11-23-7-9-24(10-8-23)15-5-3-2-4-6-15/h2-6,13-14H,7-12,22H2,1H3
PDB

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair