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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'lelong-boulouard' and Initial = 'v'   
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)
BDBM50293279
PNG
(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)
Show SMILES CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3
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1.74n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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2.80n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413548
PNG
(CHEMBL512679)
Show SMILES CCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-3-4-9-22-11-7-16(8-12-22)13-24-19-17-6-5-10-23(17)18-15(2)14-25-20(18)21-19/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3
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5.37n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413547
PNG
(CHEMBL448702)
Show SMILES CC(C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-13(2)21-9-6-15(7-10-21)11-23-18-16-5-4-8-22(16)17-14(3)12-24-19(17)20-18/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3
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6.46n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413546
PNG
(CHEMBL513254)
Show SMILES Cc1csc2nc(OCC3CCN(CC=C)CC3)c3cccn3c12
Show InChI InChI=1S/C19H23N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h3-5,9,13,15H,1,6-8,10-12H2,2H3
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8.51n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413545
PNG
(CHEMBL469575)
Show SMILES C=CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H21N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-16-4-3-9-21(16)18-15(19-17)7-12-23-18/h2-4,7,9,12,14H,1,5-6,8,10-11,13H2
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8.71n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413544
PNG
(CHEMBL511794)
Show SMILES CCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-3-20-9-6-14(7-10-20)11-22-17-15-5-4-8-21(15)16-13(2)12-23-18(16)19-17/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
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9.55n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413543
PNG
(CHEMBL472481)
Show SMILES Cc1csc2nc(OCC3CCN(CCC=C)CC3)c3cccn3c12
Show InChI InChI=1S/C20H25N3OS/c1-3-4-9-22-11-7-16(8-12-22)13-24-19-17-6-5-10-23(17)18-15(2)14-25-20(18)21-19/h3,5-6,10,14,16H,1,4,7-9,11-13H2,2H3
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11.2n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413542
PNG
(CHEMBL469582)
Show SMILES CCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-15-4-3-9-21(15)16-7-12-23-18(16)19-17/h3-4,7,9,12,14H,2,5-6,8,10-11,13H2,1H3
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11.8n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413541
PNG
(CHEMBL469593)
Show SMILES Cc1csc2nc(OCCCN3CCCCC3)c3cccn3c12
Show InChI InChI=1S/C18H23N3OS/c1-14-13-23-18-16(14)21-11-5-7-15(21)17(19-18)22-12-6-10-20-8-3-2-4-9-20/h5,7,11,13H,2-4,6,8-10,12H2,1H3
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12.9n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413540
PNG
(CHEMBL471662)
Show SMILES CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-16-4-3-9-21(16)18-15(19-17)7-12-23-18/h3-4,7,9,12,14H,2,5-6,8,10-11,13H2,1H3
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16.2n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413539
PNG
(CHEMBL450595)
Show SMILES CCN(CC)CCCCOc1nc2ccsc2n2cccc12
Show InChI InChI=1S/C17H23N3OS/c1-3-19(4-2)10-5-6-12-21-16-15-8-7-11-20(15)17-14(18-16)9-13-22-17/h7-9,11,13H,3-6,10,12H2,1-2H3
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16.2n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413538
PNG
(CHEMBL516340)
Show SMILES CC(C)N1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-13(2)20-9-5-14(6-10-20)12-22-17-16-4-3-8-21(16)18-15(19-17)7-11-23-18/h3-4,7-8,11,13-14H,5-6,9-10,12H2,1-2H3
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18.2n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413522
PNG
(CHEMBL511312)
Show SMILES CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C17H21N3OS/c1-2-19-9-5-13(6-10-19)12-21-16-15-4-3-8-20(15)17-14(18-16)7-11-22-17/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3
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19.1n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413537
PNG
(CHEMBL469379)
Show SMILES CCCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-16-5-4-10-22(16)17-8-13-24-19(17)20-18/h4-5,8,10,13,15H,2-3,6-7,9,11-12,14H2,1H3
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20.9n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413521
PNG
(CHEMBL471663)
Show SMILES CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-17-5-4-10-22(17)19-16(20-18)8-13-24-19/h4-5,8,10,13,15H,2-3,6-7,9,11-12,14H2,1H3
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20.9n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413536
PNG
(CHEMBL511148)
Show SMILES CCCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-2-3-4-10-22-12-7-16(8-13-22)15-24-19-18-6-5-11-23(18)20-17(21-19)9-14-25-20/h5-6,9,11,14,16H,2-4,7-8,10,12-13,15H2,1H3
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25.7n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413535
PNG
(CHEMBL513020)
Show SMILES C=CCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C18H21N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-15-4-3-9-21(15)16-7-12-23-18(16)19-17/h2-4,7,9,12,14H,1,5-6,8,10-11,13H2
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29.5n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413534
PNG
(CHEMBL512841)
Show SMILES C=CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C19H23N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-17-5-4-10-22(17)19-16(20-18)8-13-24-19/h2,4-5,8,10,13,15H,1,3,6-7,9,11-12,14H2
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37.1n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413533
PNG
(CHEMBL501309)
Show SMILES CN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C16H19N3OS/c1-18-8-4-12(5-9-18)11-20-15-13-3-2-7-19(13)14-6-10-21-16(14)17-15/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3
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38.0n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413532
PNG
(CHEMBL469592)
Show SMILES CCCCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-2-3-4-10-22-12-7-16(8-13-22)15-24-19-17-6-5-11-23(17)18-9-14-25-20(18)21-19/h5-6,9,11,14,16H,2-4,7-8,10,12-13,15H2,1H3
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49.0n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413531
PNG
(CHEMBL471234)
Show SMILES C(COc1nc2ccsc2n2cccc12)CN1CCCCC1
Show InChI InChI=1S/C17H21N3OS/c1-2-8-19(9-3-1)10-5-12-21-16-15-6-4-11-20(15)17-14(18-16)7-13-22-17/h4,6-7,11,13H,1-3,5,8-10,12H2
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52.5n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413530
PNG
(CHEMBL512303)
Show SMILES C(CCN1CCCCC1)COc1nc2ccsc2n2cccc12
Show InChI InChI=1S/C18H23N3OS/c1-2-9-20(10-3-1)11-4-5-13-22-17-16-7-6-12-21(16)18-15(19-17)8-14-23-18/h6-8,12,14H,1-5,9-11,13H2
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57.5n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413529
PNG
(CHEMBL471661)
Show SMILES CN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C16H19N3OS/c1-18-8-4-12(5-9-18)11-20-15-14-3-2-7-19(14)16-13(17-15)6-10-21-16/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3
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58.9n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413528
PNG
(CHEMBL471231)
Show SMILES C(Oc1nc2ccsc2n2cccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3OS/c1-2-5-17(6-3-1)15-24-12-8-18(9-13-24)16-26-21-20-7-4-11-25(20)22-19(23-21)10-14-27-22/h1-7,10-11,14,18H,8-9,12-13,15-16H2
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63.1n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413527
PNG
(CHEMBL504904)
Show SMILES C(COc1nc2ccsc2n2cccc12)CN1CCCC1
Show InChI InChI=1S/C16H19N3OS/c1-2-8-18(7-1)9-4-11-20-15-14-5-3-10-19(14)16-13(17-15)6-12-21-16/h3,5-6,10,12H,1-2,4,7-9,11H2
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74.1n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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126n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM82505
PNG
(CAS_121881 | NSC_121881 | SB204070)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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158n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50413524
PNG
(CHEMBL472219 | SC-53606)
Show SMILES C[C@@]12CCCN1CC[C@H]2CNC(=O)c1cc(Cl)cc2nc[nH]c12 |r|
Show InChI InChI=1S/C17H21ClN4O/c1-17-4-2-5-22(17)6-3-11(17)9-19-16(23)13-7-12(18)8-14-15(13)21-10-20-14/h7-8,10-11H,2-6,9H2,1H3,(H,19,23)(H,20,21)/t11-,17-/m0/s1
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251n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50413523
PNG
(CHEMBL470195)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c2c1 |r,TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H22N4O3/c1-20-11-3-4-12(20)8-10(7-11)18-16(22)21-15-9-13(24-2)5-6-14(15)19-17(21)23/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,23)/t11-,12-/m0/s1
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316n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413526
PNG
(CHEMBL513740)
Show SMILES C(CN1CCCCC1)Oc1nc2ccsc2n2cccc12
Show InChI InChI=1S/C16H19N3OS/c1-2-7-18(8-3-1)10-11-20-15-14-5-4-9-19(14)16-13(17-15)6-12-21-16/h4-6,9,12H,1-3,7-8,10-11H2
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417n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50413525
PNG
(CHEMBL500336)
Show SMILES C(CC1CCCCN1)Oc1nc2ccsc2n2cccc12
Show InChI InChI=1S/C16H19N3OS/c1-2-8-17-12(4-1)6-10-20-15-14-5-3-9-19(14)16-13(18-15)7-11-21-16/h3,5,7,9,11-12,17H,1-2,4,6,8,10H2
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617n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50056415
PNG
(2-piperidinopropyl 4-amino-5-chloro-2-methoxybenzo...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50122872
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
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PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50240618
PNG
((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...)
Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10|
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50407786
PNG
(CHEMBL54720)
Show SMILES C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H20N4S/c1-2-5-16(6-3-1)15-22-10-12-23(13-11-22)19-18-7-4-9-24(18)20-17(21-19)8-14-25-20/h1-9,14H,10-13,15H2
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n/an/a 1.41n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron form 5HT3 receptor in hybrid NG180-15 cells


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50293279
PNG
(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)
Show SMILES CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3
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n/an/a 6.92n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human recombinant 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50293279
PNG
(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)
Show SMILES CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3
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n/an/a 385n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in hybrid NG108-15 cells assessed as inhibition of 5HT-induced current by electrophysiology


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50413522
PNG
(CHEMBL511312)
Show SMILES CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C17H21N3OS/c1-2-19-9-5-13(6-10-19)12-21-16-15-4-3-8-20(15)17-14(18-16)7-11-22-17/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human recombinant 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50413521
PNG
(CHEMBL471663)
Show SMILES CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-2-3-9-21-11-6-15(7-12-21)14-23-18-17-5-4-10-22(17)19-16(20-18)8-13-24-19/h4-5,8,10,13,15H,2-3,6-7,9,11-12,14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human recombinant 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50407786
PNG
(CHEMBL54720)
Show SMILES C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H20N4S/c1-2-5-16(6-3-1)15-22-10-12-23(13-11-22)19-18-7-4-9-24(18)20-17(21-19)8-14-25-20/h1-9,14H,10-13,15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair