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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM82519'   
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)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
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Article
48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
PDB

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UniChem

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Article
PubMed
48n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
49n/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)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortex


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair