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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'rivail' and Initial = 'l'   
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))
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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0.5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to Rluc fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(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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0.5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(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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0.700n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to YFP fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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1n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174419
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C38H54Cl2N6O10/c1-51-33-23-31(41)29(39)21-27(33)37(49)55-17-13-45-9-3-25(4-10-45)35(47)43-7-15-53-19-20-54-16-8-44-36(48)26-5-11-46(12-6-26)14-18-56-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)
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3n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to YFP fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174440
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-7-24(8-14-44)34(47)42-10-4-2-3-9-41-33(46)23-5-11-43(12-6-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174414
PNG
(4-(3-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-7-22(8-12-42)40-32(45)4-2-3-31(44)39-21-5-9-41(10-6-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174432
PNG
(1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1
Show InChI InChI=1S/C40H50Cl2N6O8/c1-53-35-21-33(43)31(41)19-29(35)39(51)55-16-14-47-10-6-27(7-11-47)37(49)45-23-25-4-3-5-26(18-25)24-46-38(50)28-8-12-48(13-9-28)15-17-56-40(52)30-20-32(42)34(44)22-36(30)54-2/h3-5,18-22,27-28H,6-17,23-24,43-44H2,1-2H3,(H,45,49)(H,46,50)
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5n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to Rluc fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174416
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C40H58Cl2N6O11/c1-53-35-24-33(43)31(41)22-29(35)39(51)58-16-13-47-9-4-27(5-10-47)37(49)45-8-3-15-55-18-19-56-20-21-57-26-46-38(50)28-6-11-48(12-7-28)14-17-59-40(52)30-23-32(42)34(44)25-36(30)54-2/h22-25,27-28H,3-21,26,43-44H2,1-2H3,(H,45,49)(H,46,50)
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6n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174434
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-15-43-11-6-23(7-12-43)34(47)41-10-4-2-3-5-33(46)42-24-8-13-44(14-9-24)16-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,47)(H,42,46)
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7n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50219133
PNG
(2-[4-({5-[(1-{2-[(4-amino-5-chloro-2-methoxyphenyl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C37H52Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(48)52-18-16-44-12-7-24(8-13-44)35(47)42-11-5-3-4-6-34(46)43-25-9-14-45(15-10-25)17-19-53-37(49)27-21-29(39)31(41)23-33(27)51-2/h20-25H,3-19,40-41H2,1-2H3,(H,42,47)(H,43,46)
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7n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129625
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[(5-d...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C28H35ClN4O5S/c1-32(2)25-8-4-7-21-20(25)6-5-9-27(21)39(35,36)31-18-19-10-12-33(13-11-19)14-15-38-28(34)22-16-23(29)24(30)17-26(22)37-3/h4-9,16-17,19,31H,10-15,18,30H2,1-3H3
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7n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129624
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[(7-n...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNc2ccc([N+]([O-])=O)c3n[o+][n-]c23)CC1
Show InChI InChI=1S/C22H25ClN6O6/c1-33-19-11-16(24)15(23)10-14(19)22(30)34-9-8-28-6-4-13(5-7-28)12-25-17-2-3-18(29(31)32)21-20(17)26-35-27-21/h2-3,10-11,13,25H,4-9,12,24H2,1H3
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7.5n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174421
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-49-31-19-29(39)27(37)17-25(31)35(47)51-15-13-43-9-5-23(6-10-43)21-41-33(45)3-4-34(46)42-22-24-7-11-44(12-8-24)14-16-52-36(48)26-18-28(38)30(40)20-32(26)50-2/h17-20,23-24H,3-16,21-22,39-40H2,1-2H3,(H,41,45)(H,42,46)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174430
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-12-29(13-19-49)39(52)47-15-9-7-5-3-2-4-6-8-14-46-38(51)28-10-16-48(17-11-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
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8n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174431
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCCCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C46H70Cl2N6O8/c1-59-41-31-39(49)37(47)29-35(41)45(57)61-27-25-53-21-15-33(16-22-53)13-19-51-43(55)11-9-7-5-3-4-6-8-10-12-44(56)52-20-14-34-17-23-54(24-18-34)26-28-62-46(58)36-30-38(48)40(50)32-42(36)60-2/h29-34H,3-28,49-50H2,1-2H3,(H,51,55)(H,52,56)
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9n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174435
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C37H52Cl2N6O8/c1-50-32-20-30(40)28(38)18-26(32)36(48)52-16-14-44-10-6-24(7-11-44)22-42-34(46)4-3-5-35(47)43-23-25-8-12-45(13-9-25)15-17-53-37(49)27-19-29(39)31(41)21-33(27)51-2/h18-21,24-25H,3-17,22-23,40-41H2,1-2H3,(H,42,46)(H,43,47)
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9n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174420
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-9-24(10-14-44)42-34(47)6-4-2-3-5-33(46)41-23-7-11-43(12-8-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)
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9n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174443
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C38H54Cl2N6O8/c1-51-33-23-31(41)29(39)21-27(33)37(49)53-19-17-45-13-7-25(8-14-45)5-11-43-35(47)3-4-36(48)44-12-6-26-9-15-46(16-10-26)18-20-54-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)
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10n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174422
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-24-32(42)30(40)22-28(34)38(50)54-20-18-46-14-8-26(9-15-46)6-12-44-36(48)4-3-5-37(49)45-13-7-27-10-16-47(17-11-27)19-21-55-39(51)29-23-31(41)33(43)25-35(29)53-2/h22-27H,3-21,42-43H2,1-2H3,(H,44,48)(H,45,49)
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11n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174444
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-22-32(42)30(40)20-28(34)38(50)54-18-16-46-12-8-26(9-13-46)24-44-36(48)6-4-3-5-7-37(49)45-25-27-10-14-47(15-11-27)17-19-55-39(51)29-21-31(41)33(43)23-35(29)53-2/h20-23,26-27H,3-19,24-25,42-43H2,1-2H3,(H,44,48)(H,45,49)
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11n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174415
PNG
(1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-5-22(6-12-42)32(45)40-8-2-7-39-31(44)21-3-9-41(10-4-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174439
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-a...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN
Show InChI InChI=1S/C26H43ClN4O4/c1-34-24-19-23(29)22(27)18-21(24)26(33)35-17-16-31-14-11-20(12-15-31)30-25(32)10-8-6-4-2-3-5-7-9-13-28/h18-20H,2-17,28-29H2,1H3,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174417
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-54-36-26-34(44)32(42)24-30(36)40(52)56-22-20-48-16-10-28(11-17-48)8-14-46-38(50)6-4-3-5-7-39(51)47-15-9-29-12-18-49(19-13-29)21-23-57-41(53)31-25-33(43)35(45)27-37(31)55-2/h24-29H,3-23,44-45H2,1-2H3,(H,46,50)(H,47,51)
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13n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174433
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C39H58ClN5O5/c1-49-36-28-35(41)34(40)27-33(36)39(48)50-26-25-44-21-17-31(18-22-44)42-37(46)15-11-6-4-2-3-5-7-12-16-38(47)43-32-19-23-45(24-20-32)29-30-13-9-8-10-14-30/h8-10,13-14,27-28,31-32H,2-7,11-12,15-26,29,41H2,1H3,(H,42,46)(H,43,47)
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14n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50371145
PNG
(CHEMBL1162955)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCN(CCCc2ccc(CCCN(CCCC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)C(C)(C)C)cc2)C(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C62H92Cl2N8O10/c1-61(2,3)59(77)71(27-11-15-55(73)67-41-45-21-29-69(30-22-45)33-35-81-57(75)47-37-49(63)51(65)39-53(47)79-7)25-9-13-43-17-19-44(20-18-43)14-10-26-72(60(78)62(4,5)6)28-12-16-56(74)68-42-46-23-31-70(32-24-46)34-36-82-58(76)48-38-50(64)52(66)40-54(48)80-8/h17-20,37-40,45-46H,9-16,21-36,41-42,65-66H2,1-8H3,(H,67,73)(H,68,74)
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15n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50219124
PNG
(2-(4-{4-[N-(3-{3-[3-(N-{3-[(1-{2-[(4-amino-5-chlor...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCN(CCCc1cccc(CCCN(CCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)C(=O)C(C)(C)C)c1)C(=O)C(C)(C)C
Show InChI InChI=1S/C60H88Cl2N8O10/c1-59(2,3)57(75)69(26-12-18-53(71)65-43-20-28-67(29-21-43)32-34-79-55(73)45-37-47(61)49(63)39-51(45)77-7)24-10-16-41-14-9-15-42(36-41)17-11-25-70(58(76)60(4,5)6)27-13-19-54(72)66-44-22-30-68(31-23-44)33-35-80-56(74)46-38-48(62)50(64)40-52(46)78-8/h9,14-15,36-40,43-44H,10-13,16-35,63-64H2,1-8H3,(H,65,71)(H,66,72)
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15n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174442
PNG
(4-(10-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbo...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)
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16n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174425
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCCCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C44H66Cl2N6O8/c1-57-39-27-37(47)35(45)25-33(39)43(55)59-23-21-51-17-13-31(14-18-51)29-49-41(53)11-9-7-5-3-4-6-8-10-12-42(54)50-30-32-15-19-52(20-16-32)22-24-60-44(56)34-26-36(46)38(48)28-40(34)58-2/h25-28,31-32H,3-24,29-30,47-48H2,1-2H3,(H,49,53)(H,50,54)
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16n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174431
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCCCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
Show InChI InChI=1S/C46H70Cl2N6O8/c1-59-41-31-39(49)37(47)29-35(41)45(57)61-27-25-53-21-15-33(16-22-53)13-19-51-43(55)11-9-7-5-3-4-6-8-10-12-44(56)52-20-14-34-17-23-54(24-18-34)26-28-62-46(58)36-30-38(48)40(50)32-42(36)60-2/h29-34H,3-28,49-50H2,1-2H3,(H,51,55)(H,52,56)
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18n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174427
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C36H50Cl2N6O9/c1-49-31-21-29(39)27(37)19-25(31)35(47)52-17-13-43-9-3-23(4-10-43)33(45)41-7-15-51-16-8-42-34(46)24-5-11-44(12-6-24)14-18-53-36(48)26-20-28(38)30(40)22-32(26)50-2/h19-24H,3-18,39-40H2,1-2H3,(H,41,45)(H,42,46)
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19n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50219132
PNG
(2-[4-({10-[(1-{2-[(4-amino-5-chloro-2-methoxypheny...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C42H62Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(53)57-23-21-49-17-12-29(13-18-49)40(52)47-16-10-8-6-4-3-5-7-9-11-39(51)48-30-14-19-50(20-15-30)22-24-58-42(54)32-26-34(44)36(46)28-38(32)56-2/h25-30H,3-24,45-46H2,1-2H3,(H,47,52)(H,48,51)
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20n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174424
PNG
(4-(2-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C34H46Cl2N6O8/c1-47-29-19-27(37)25(35)17-23(29)33(45)49-15-13-41-9-5-21(6-10-41)39-31(43)3-4-32(44)40-22-7-11-42(12-8-22)14-16-50-34(46)24-18-26(36)28(38)20-30(24)48-2/h17-22H,3-16,37-38H2,1-2H3,(H,39,43)(H,40,44)
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21n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129618
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[4-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C31H41ClN4O5S/c1-35(2)28-11-6-10-24-23(28)9-7-12-30(24)42(38,39)34-15-5-4-8-22-13-16-36(17-14-22)18-19-41-31(37)25-20-26(32)27(33)21-29(25)40-3/h6-7,9-12,20-22,34H,4-5,8,13-19,33H2,1-3H3
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24n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129619
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[8-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C34H46ClN5O6S/c1-38(2)30-13-9-12-26-25(30)11-10-14-32(26)47(43,44)37-16-8-6-4-5-7-15-33(41)40-19-17-39(18-20-40)21-22-46-34(42)27-23-28(35)29(36)24-31(27)45-3/h9-14,23-24,37H,4-8,15-22,36H2,1-3H3
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31n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129626
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[3-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C30H39ClN4O5S/c1-34(2)27-10-4-9-23-22(27)8-5-11-29(23)41(37,38)33-14-6-7-21-12-15-35(16-13-21)17-18-40-30(36)24-19-25(31)26(32)20-28(24)39-3/h4-5,8-11,19-21,33H,6-7,12-18,32H2,1-3H3
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32n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174428
PNG
(1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCc1ccc2c(c1)oc1cc(CCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)ccc21
Show InChI InChI=1S/C48H56Cl2N6O9/c1-61-41-27-39(51)37(49)25-35(41)47(59)63-21-19-55-15-11-31(12-16-55)53-45(57)9-5-29-3-7-33-34-8-4-30(24-44(34)65-43(33)23-29)6-10-46(58)54-32-13-17-56(18-14-32)20-22-64-48(60)36-26-38(50)40(52)28-42(36)62-2/h3-4,7-8,23-28,31-32H,5-6,9-22,51-52H2,1-2H3,(H,53,57)(H,54,58)
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47n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174437
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
Show InChI InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)
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50n/an/an/an/an/an/an/an/a



Université de Paris XI

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT4 receptor using [3H]-GR-113,808


J Med Chem 48: 6220-8 (2005)


Article DOI: 10.1021/jm050234z
BindingDB Entry DOI: 10.7270/Q22N51V9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50174437
PNG
(1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
Show InChI InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)
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50n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129621
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[4-(6...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
Show InChI InChI=1S/C33H39ClN4O5/c1-36(2)28-11-10-24-30-22(28)8-6-9-23(30)31(39)38(32(24)40)14-5-4-7-21-12-15-37(16-13-21)17-18-43-33(41)25-19-26(34)27(35)20-29(25)42-3/h6,8-11,19-21H,4-5,7,12-18,35H2,1-3H3
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59n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129617
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-am...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
Show InChI InChI=1S/C28H29ClN4O5/c1-37-24-14-23(31)21(29)13-20(24)28(36)38-12-11-32-9-7-16(8-10-32)15-33-26(34)18-4-2-3-17-22(30)6-5-19(25(17)18)27(33)35/h2-6,13-14,16H,7-12,15,30-31H2,1H3
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64n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129628
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[2-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
Show InChI InChI=1S/C29H37ClN4O5S/c1-33(2)26-8-4-7-22-21(26)6-5-9-28(22)40(36,37)32-13-10-20-11-14-34(15-12-20)16-17-39-29(35)23-18-24(30)25(31)19-27(23)38-3/h4-9,18-20,32H,10-17,31H2,1-3H3
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77n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129615
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[11-(...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C37H52ClN5O6S/c1-41(2)33-16-12-15-29-28(33)14-13-17-35(29)50(46,47)40-19-11-9-7-5-4-6-8-10-18-36(44)43-22-20-42(21-23-43)24-25-49-37(45)30-26-31(38)32(39)27-34(30)48-3/h12-17,26-27,40H,4-11,18-25,39H2,1-3H3
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96n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129622
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[3-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C29H36ClN5O6S/c1-33(2)25-8-4-7-21-20(25)6-5-9-27(21)42(38,39)32-11-10-28(36)35-14-12-34(13-15-35)16-17-41-29(37)22-18-23(30)24(31)19-26(22)40-3/h4-9,18-19,32H,10-17,31H2,1-3H3
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116n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129620
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[6-(5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C32H42ClN5O6S/c1-36(2)28-11-7-10-24-23(28)9-8-12-30(24)45(41,42)35-14-6-4-5-13-31(39)38-17-15-37(16-18-38)19-20-44-32(40)25-21-26(33)27(34)22-29(25)43-3/h7-12,21-22,35H,4-6,13-20,34H2,1-3H3
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180n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50129629
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-di...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
Show InChI InChI=1S/C30H33ClN4O5/c1-33(2)25-8-7-21-27-19(25)5-4-6-20(27)28(36)35(29(21)37)17-18-9-11-34(12-10-18)13-14-40-30(38)22-15-23(31)24(32)16-26(22)39-3/h4-8,15-16,18H,9-14,17,32H2,1-3H3
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181n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
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