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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'fontenelle' and Initial = 'cq'   
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)
BDBM50399614
PNG
(CHEMBL2181170)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50443687
PNG
(CHEMBL3093187)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc21
Show InChI InChI=1S/C22H23F4N3O/c23-18-6-1-4-16-19-17(5-2-10-27-19)21(28-20(16)18)30-14-15-7-12-29(13-8-15)11-3-9-22(24,25)26/h1-2,4-6,10,15H,3,7-9,11-14H2
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4.20n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50443688
PNG
(CHEMBL3093186)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc21
Show InChI InChI=1S/C21H21F4N3O/c22-17-5-1-3-15-18-16(4-2-9-26-18)20(27-19(15)17)29-13-14-6-10-28(11-7-14)12-8-21(23,24)25/h1-5,9,14H,6-8,10-13H2
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9n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50443690
PNG
(CHEMBL3093184)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1ccccc21
Show InChI InChI=1S/C23H24F4N2O/c24-20-8-3-7-18-17-5-1-2-6-19(17)22(28-21(18)20)30-15-16-9-13-29(14-10-16)12-4-11-23(25,26)27/h1-3,5-8,16H,4,9-15H2
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14n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50399619
PNG
(CHEMBL2181189)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
Show InChI InChI=1S/C22H25FN2O/c1-2-12-25-13-10-16(11-14-25)15-26-22-19-7-4-3-6-17(19)18-8-5-9-20(23)21(18)24-22/h3-9,16H,2,10-15H2,1H3
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20n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50443691
PNG
(CHEMBL3093194)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1ccccc21
Show InChI InChI=1S/C22H22F4N2O/c23-19-7-3-6-17-16-4-1-2-5-18(16)21(27-20(17)19)29-14-15-8-11-28(12-9-15)13-10-22(24,25)26/h1-7,15H,8-14H2
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22n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50399632
PNG
(CHEMBL2177145)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C22H26N2O/c1-2-13-24-14-11-17(12-15-24)16-25-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)23-22/h3-10,17H,2,11-16H2,1H3
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52n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50443689
PNG
(CHEMBL3093185)
Show SMILES FC(F)CN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C20H20F3N3O/c21-16-5-1-3-14-18-15(4-2-8-24-18)20(25-19(14)16)27-12-13-6-9-26(10-7-13)11-17(22)23/h1-5,8,13,17H,6-7,9-12H2
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91n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50443688
PNG
(CHEMBL3093186)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc21
Show InChI InChI=1S/C21H21F4N3O/c22-17-5-1-3-15-18-16(4-2-9-26-18)20(27-19(15)17)29-13-14-6-10-28(11-7-14)12-8-21(23,24)25/h1-5,9,14H,6-8,10-13H2
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1.20E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50443687
PNG
(CHEMBL3093187)
Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc21
Show InChI InChI=1S/C22H23F4N3O/c23-18-6-1-4-16-19-17(5-2-10-27-19)21(28-20(16)18)30-14-15-7-12-29(13-8-15)11-3-9-22(24,25)26/h1-2,4-6,10,15H,3,7-9,11-14H2
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PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3


Bioorg Med Chem 21: 7529-38 (2013)


Article DOI: 10.1016/j.bmc.2013.08.061
BindingDB Entry DOI: 10.7270/Q2930VN9
More data for this
Ligand-Target Pair