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Compile Data Set for Download or QSAR

Found 190 hits of ic50 data for polymerid = 49000083,49000084,49000086,49000087,49000089,8334   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198005
PNG
(US9221790, 15)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
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n/an/a 0.00200n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197995
PNG
(US9221790, 5)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33)
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n/an/a 0.00500n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421360
PNG
(CHEMBL358119 | SB-207058)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3
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n/an/a 0.0250n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421360
PNG
(CHEMBL358119 | SB-207058)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3
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n/an/a 0.0251n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197993
PNG
(US9221790, 3)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)
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n/an/a 0.0390n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197997
PNG
(US9221790, 7)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)
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n/an/a 0.0670n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198000
PNG
(US9221790, 10)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30)
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n/an/a 0.0760n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
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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n/an/a 0.0794n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
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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n/an/a 0.0800n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
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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n/an/a 0.100n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT-evoked 5-HT4 receptor-mediated contractions in the guinea pig distal colon longitudinal muscle myenteric plexus (LMMP)


J Med Chem 36: 4121-3 (1994)


BindingDB Entry DOI: 10.7270/Q20003D7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50422085
PNG
(CHEMBL142490)
Show SMILES CCCCN1CCC(COC(=O)c2c(OC)[nH]c3ccccc23)CC1
Show InChI InChI=1S/C20H28N2O3/c1-3-4-11-22-12-9-15(10-13-22)14-25-20(23)18-16-7-5-6-8-17(16)21-19(18)24-2/h5-8,15,21H,3-4,9-14H2,1-2H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421359
PNG
(CHEMBL145075)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1
Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421359
PNG
(CHEMBL145075)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1
Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3
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TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197996
PNG
(US9221790, 6)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1
Show InChI InChI=1S/C21H31ClN6O2/c1-30-20-14-19(23)18(22)13-17(20)21(29)24-15-16-5-10-27(11-6-16)8-3-2-4-9-28-12-7-25-26-28/h7,12-14,16H,2-6,8-11,15,23H2,1H3,(H,24,29)
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n/an/a 0.103n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198003
PNG
(US9221790, 13)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25ClFN3O2/c1-28-20-11-19(24)18(22)10-17(20)21(27)25-12-14-6-8-26(9-7-14)13-15-2-4-16(23)5-3-15/h2-5,10-11,14H,6-9,12-13,24H2,1H3,(H,25,27)
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n/an/a 0.134n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421362
PNG
(CHEMBL143862)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421362
PNG
(CHEMBL143862)
Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197992
PNG
(US9221790, 2)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
Show InChI InChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)
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Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197998
PNG
(US9221790, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2nccn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-9-25(10-4-14)7-2-8-26-23-5-6-24-26/h5-6,11-12,14H,2-4,7-10,13,21H2,1H3,(H,22,27)
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Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
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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n/an/a 0.210n/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT4ER expressed in CHO cells assessed as reduction in cAMP levels


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197991
PNG
(US9221790, 1)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cncn2)CC1
Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-10-17(21)16(20)9-15(18)19(27)23-11-14-3-7-25(8-4-14)5-2-6-26-13-22-12-24-26/h9-10,12-14H,2-8,11,21H2,1H3,(H,23,27)
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n/an/a 0.226n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197994
PNG
(US9221790, 4)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1
Show InChI InChI=1S/C21H30ClN5O2/c1-15-24-6-11-27(15)8-3-7-26-9-4-16(5-10-26)14-25-21(28)17-12-18(22)19(23)13-20(17)29-2/h6,11-13,16H,3-5,7-10,14,23H2,1-2H3,(H,25,28)
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n/an/a 0.229n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM197999
PNG
(US9221790, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)
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n/an/a 0.267n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 0.362n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198004
PNG
(US9221790, 14)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(O)cc2)CC1
Show InChI InChI=1S/C21H26ClN3O3/c1-28-20-11-19(23)18(22)10-17(20)21(27)24-12-14-6-8-25(9-7-14)13-15-2-4-16(26)5-3-15/h2-5,10-11,14,26H,6-9,12-13,23H2,1H3,(H,24,27)
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n/an/a 0.375n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198002
PNG
(US9221790, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
Show InChI InChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26)
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n/an/a 0.421n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM198001
PNG
(US9221790, 11)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
Show InChI InChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)
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n/an/a 0.454n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd.

US Patent


Assay Description
The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...


US Patent US9221790 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421361
PNG
(CHEMBL143426)
Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50421361
PNG
(CHEMBL143426)
Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3
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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...


Citation and Details

Article DOI: 10.1016/S0960-894X(01)80176-1
BindingDB Entry DOI: 10.7270/Q25T3MSB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(MOUSE)
BDBM50122716
PNG
(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
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n/an/a 0.560n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Ability to displace [3H]GR-113808 from mouse 5-hydroxytryptamine 4 receptor in COS7 cells


J Med Chem 46: 138-47 (2002)


Article DOI: 10.1021/jm020954v
BindingDB Entry DOI: 10.7270/Q2J67G8P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(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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n/an/a 0.630n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 3 receptor


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50422007
PNG
(CHEMBL334818)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C18H27ClN2O3/c1-3-4-7-21-8-5-13(6-9-21)12-24-18(22)14-10-15(19)16(20)11-17(14)23-2/h10-11,13H,3-9,12,20H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT-evoked 5-HT4 receptor-mediated contractions in the guinea pig distal colon longitudinal muscle myenteric plexus (LMMP)


J Med Chem 36: 4121-3 (1994)


BindingDB Entry DOI: 10.7270/Q20003D7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
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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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae


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)
BDBM50112041
PNG
(4-Amino-N-{1-[1-(2-amino-3-methyl-butyryl)-piperid...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(N)C(C)C)CC1
Show InChI InChI=1S/C24H38ClN5O3/c1-15(2)22(27)24(32)30-10-4-16(5-11-30)14-29-8-6-17(7-9-29)28-23(31)18-12-19(25)20(26)13-21(18)33-3/h12-13,15-17,22H,4-11,14,26-27H2,1-3H3,(H,28,31)
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n/an/a 2.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112039
PNG
(4-Amino-N-{1-[1-(2-amino-pentanoyl)-piperidin-4-yl...)
Show SMILES CCCC(N)C(=O)N1CCC(CN2CCC(CC2)NC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C24H38ClN5O3/c1-3-4-20(26)24(32)30-11-5-16(6-12-30)15-29-9-7-17(8-10-29)28-23(31)18-13-19(25)21(27)14-22(18)33-2/h13-14,16-17,20H,3-12,15,26-27H2,1-2H3,(H,28,31)
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n/an/a 2.60n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112038
PNG
(4-Amino-N-{1-[1-(2-amino-2-methyl-propionyl)-piper...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)(C)N)CC1
Show InChI InChI=1S/C23H36ClN5O3/c1-23(2,26)22(31)29-10-4-15(5-11-29)14-28-8-6-16(7-9-28)27-21(30)17-12-18(24)19(25)13-20(17)32-3/h12-13,15-16H,4-11,14,25-26H2,1-3H3,(H,27,30)
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n/an/a 2.60n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50398963
PNG
(CHEMBL2179674)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)33-18-20-11-14-30(15-12-20)13-10-19-6-8-21(9-7-19)27(31)32/h2-9,16-17,20H,10-15,18H2,1H3,(H,31,32)
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n/an/a 2.80n/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT4ER expressed in CHO cells assessed as reduction in cAMP levels


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae


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
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112046
PNG
(4-Amino-N-{1-[1-(5-amino-pentanoyl)-piperidin-4-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCCCN)CC1
Show InChI InChI=1S/C24H38ClN5O3/c1-33-22-15-21(27)20(25)14-19(22)24(32)28-18-7-10-29(11-8-18)16-17-5-12-30(13-6-17)23(31)4-2-3-9-26/h14-15,17-18H,2-13,16,26-27H2,1H3,(H,28,32)
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n/an/a 3.90n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112042
PNG
(4-Amino-N-{1-[1-(4-amino-butyryl)-piperidin-4-ylme...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCCN)CC1
Show InChI InChI=1S/C23H36ClN5O3/c1-32-21-14-20(26)19(24)13-18(21)23(31)27-17-6-9-28(10-7-17)15-16-4-11-29(12-5-16)22(30)3-2-8-25/h13-14,16-17H,2-12,15,25-26H2,1H3,(H,27,31)
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n/an/a 4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112045
PNG
(4-Amino-N-{1-[1-(3-amino-2-methyl-propionyl)-piper...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)CN)CC1
Show InChI InChI=1S/C23H36ClN5O3/c1-15(13-25)23(31)29-9-3-16(4-10-29)14-28-7-5-17(6-8-28)27-22(30)18-11-19(24)20(26)12-21(18)32-2/h11-12,15-17H,3-10,13-14,25-26H2,1-2H3,(H,27,30)
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n/an/a 5.10n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112031
PNG
(4-Amino-N-{1-[1-(2-amino-propionyl)-piperidin-4-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)N)CC1
Show InChI InChI=1S/C22H34ClN5O3/c1-14(24)22(30)28-9-3-15(4-10-28)13-27-7-5-16(6-8-27)26-21(29)17-11-18(23)19(25)12-20(17)31-2/h11-12,14-16H,3-10,13,24-25H2,1-2H3,(H,26,29)
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n/an/a 5.10n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50422009
PNG
(CHEMBL130040)
Show SMILES CCCCN1CCC(COC(=O)c2cccc3OCCOc23)CC1
Show InChI InChI=1S/C19H27NO4/c1-2-3-9-20-10-7-15(8-11-20)14-24-19(21)16-5-4-6-17-18(16)23-13-12-22-17/h4-6,15H,2-3,7-14H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT-evoked 5-HT4 receptor-mediated contractions in the guinea pig distal colon longitudinal muscle myenteric plexus (LMMP)


J Med Chem 36: 4121-3 (1994)


BindingDB Entry DOI: 10.7270/Q20003D7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112029
PNG
(4-Amino-N-{1-[1-(4-amino-butyl)-piperidin-4-ylmeth...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCCN)CC2)CC1
Show InChI InChI=1S/C23H38ClN5O2/c1-31-22-15-21(26)20(24)14-19(22)23(30)27-18-6-12-29(13-7-18)16-17-4-10-28(11-5-17)9-3-2-8-25/h14-15,17-18H,2-13,16,25-26H2,1H3,(H,27,30)
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n/an/a 6.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50515598
PNG
(CHEMBL4526049)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1
Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111596
BindingDB Entry DOI: 10.7270/Q2988BC8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50422086
PNG
(CHEMBL142621)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C23H33N3O2/c1-2-3-12-25-14-10-18(11-15-25)17-24-22(27)21-19-8-4-5-9-20(19)26-13-6-7-16-28-23(21)26/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,24,27)
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n/an/a 7.90n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP


J Med Chem 38: 4760-3 (1996)


BindingDB Entry DOI: 10.7270/Q2B56M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112044
PNG
(4-Amino-N-{1-[1-(2-amino-acetyl)-piperidin-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CN)CC1
Show InChI InChI=1S/C21H32ClN5O3/c1-30-19-11-18(24)17(22)10-16(19)21(29)25-15-4-6-26(7-5-15)13-14-2-8-27(9-3-14)20(28)12-23/h10-11,14-15H,2-9,12-13,23-24H2,1H3,(H,25,29)
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n/an/a 9.30n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50112037
PNG
(4-Amino-N-{1-[1-(3-amino-propionyl)-piperidin-4-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCN)CC1
Show InChI InChI=1S/C22H34ClN5O3/c1-31-20-13-19(25)18(23)12-17(20)22(30)26-16-5-8-27(9-6-16)14-15-3-10-28(11-4-15)21(29)2-7-24/h12-13,15-16H,2-11,14,24-25H2,1H3,(H,26,30)
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n/an/a 9.5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]-GR-113,808 as radioligand


Bioorg Med Chem Lett 12: 967-70 (2002)


BindingDB Entry DOI: 10.7270/Q2RF5TB7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50398964
PNG
(CHEMBL2179707)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N4O3/c1-18(2)30-23-6-4-3-5-22(23)24(28-30)25(31)27-17-20-12-15-29(16-13-20)14-11-19-7-9-21(10-8-19)26(32)33/h3-10,18,20H,11-17H2,1-2H3,(H,27,31)(H,32,33)
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n/an/a 9.80n/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT4ER expressed in CHO cells assessed as reduction in cAMP levels


J Med Chem 55: 9446-66 (2012)


Article DOI: 10.1021/jm300573d
BindingDB Entry DOI: 10.7270/Q27082JT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50530423
PNG
(CHEMBL4451349)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cn3ccnc23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-7-22-8-4-14(5-9-22)12-21-18(24)16-11-15(19)13-23-10-6-20-17(16)23/h6,10-11,13-14H,2-5,7-9,12H2,1H3,(H,21,24)
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n/an/a<10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT4 receptor (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
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