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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50056421'   
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


(RAT)
BDBM50056421
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
64n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


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
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056421
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
64.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum


Bioorg Med Chem Lett 4: 1433-1436 (1994)


Article DOI: 10.1016/S0960-894X(01)80508-4
BindingDB Entry DOI: 10.7270/Q2G160RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056421
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 27n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum


Bioorg Med Chem Lett 4: 1433-1436 (1994)


Article DOI: 10.1016/S0960-894X(01)80508-4
BindingDB Entry DOI: 10.7270/Q2G160RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50056421
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 8-methyl-8...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
Show InChI InChI=1S/C16H21ClN2O3/c1-19-9-3-4-10(19)6-11(5-9)22-16(20)12-7-13(17)14(18)8-15(12)21-2/h7-11H,3-6,18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 27n/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor agonist activity, concentration which gave 50% increase in the response to electrically-stimulated myenteric plexus an...


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