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Compile Data Set for Download or QSAR

Found 86 hits of ec50 data for polymerid = 49000086,49000089   
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
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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n/an/an/an/a 0.590n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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n/an/an/an/a 0.620n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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n/an/an/an/a 0.650n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 0.900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 0.960n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 1.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181844
PNG
((1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 4-amin...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H21ClN2O3/c1-21-15-8-13(18)12(17)7-11(15)16(20)22-9-10-4-6-19-5-2-3-14(10)19/h7-8,10,14H,2-6,9,18H2,1H3/t10-,14-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288595
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O3/c1-2-3-7-22-8-4-13(5-9-22)12-25-19(23)15-11-16(20)17(21)14-6-10-24-18(14)15/h11,13H,2-10,12,21H2,1H3
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n/an/an/an/a 1.90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288597
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C16H21ClN2O3/c17-13-10-12(15-11(14(13)18)4-8-21-15)16(20)22-9-7-19-5-2-1-3-6-19/h10H,1-9,18H2
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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n/an/an/an/a 2.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288594
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H28ClN3O2/c1-2-3-7-23-8-4-13(5-9-23)12-22-19(24)15-11-16(20)17(21)14-6-10-25-18(14)15/h11,13H,2-10,12,21H2,1H3,(H,22,24)
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n/an/an/an/a 4.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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/an/an/a 6.30n/an/an/an/a


TBA

Assay Description
5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae


Citation and Details
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288585
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C17H23ClN2O3/c18-14-11-13(16-12(15(14)19)5-10-22-16)17(21)23-9-4-8-20-6-2-1-3-7-20/h11H,1-10,19H2
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n/an/an/an/a 7.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288584
PNG
((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1
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n/an/an/an/a 8.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50403164
PNG
(CHEMBL156977 | SB-205149)
Show SMILES CCCC[N+]12CCCC(C1)C(CC2)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C20H30ClN3O2/c1-3-4-8-24-9-5-6-14(13-24)18(7-10-24)23-20(25)15-11-16(21)17(22)12-19(15)26-2/h11-12,14,18H,3-10,13H2,1-2H3,(H2-,22,23,25)/p+1
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n/an/an/an/a 9.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae


Bioorg Med Chem Lett 3: 633-634 (1993)


Article DOI: 10.1016/S0960-894X(01)81243-9
BindingDB Entry DOI: 10.7270/Q23T9JD7
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 9.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae


Bioorg Med Chem Lett 3: 633-634 (1993)


Article DOI: 10.1016/S0960-894X(01)81243-9
BindingDB Entry DOI: 10.7270/Q23T9JD7
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae


Bioorg Med Chem Lett 3: 633-634 (1993)


Article DOI: 10.1016/S0960-894X(01)81243-9
BindingDB Entry DOI: 10.7270/Q23T9JD7
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288590
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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n/an/an/an/a 13n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae


Bioorg Med Chem Lett 3: 633-634 (1993)


Article DOI: 10.1016/S0960-894X(01)81243-9
BindingDB Entry DOI: 10.7270/Q23T9JD7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50212855
PNG
(CHEMBL28499)
Show SMILES Nc1c(Cl)cc2C(=O)N([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H18ClN3O2/c20-14-8-13-16-11(17(14)21)2-1-3-12(16)18(24)23(19(13)25)15-9-22-6-4-10(15)5-7-22/h1-3,8,10,15H,4-7,9,21H2/t15-/m1/s1
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n/an/an/an/a 13n/an/an/an/a


TBA

Assay Description
5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae


Citation and Details
More data for this
Ligand-Target Pair
HTR4


(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/an/an/a 17n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288587
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288596
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C17H24ClN3O2/c18-14-11-13(16-12(15(14)19)5-10-23-16)17(22)20-6-4-9-21-7-2-1-3-8-21/h11H,1-10,19H2,(H,20,22)
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n/an/an/an/a 19n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity at the 5-hydroxytryptamine 4 receptor in the rat tunica muscularis mucosae (TMM) assay


Bioorg Med Chem Lett 14: 3073-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.021
BindingDB Entry DOI: 10.7270/Q25T3JX9
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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n/an/an/an/a 23.7n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Efficient 5-hydroxytryptamine 4 agonist in the rat tunica muscularis mucosae


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50212856
PNG
(CHEMBL27966)
Show SMILES CN1CCC(CC1)N1C(=O)c2cccc3c(N)c(Cl)cc(C1=O)c23
Show InChI InChI=1S/C18H18ClN3O2/c1-21-7-5-10(6-8-21)22-17(23)12-4-2-3-11-15(12)13(18(22)24)9-14(19)16(11)20/h2-4,9-10H,5-8,20H2,1H3
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n/an/an/an/a 32n/an/an/an/a


TBA

Assay Description
5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288582
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C16H22ClN3O2/c17-13-10-12(15-11(14(13)18)4-9-22-15)16(21)19-5-8-20-6-2-1-3-7-20/h10H,1-9,18H2,(H,19,21)
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n/an/an/an/a 35n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50122873
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O
Show InChI InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25)
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n/an/an/an/a 40.3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Efficient 5-hydroxytryptamine 4 agonist in the rat tunica muscularis mucosae


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50142919
PNG
(CHEMBL3759860)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 51n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 51n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus stri...


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 51n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay


Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
HTR4


(RAT)
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/an/an/a 55n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
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/an/an/a 55n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus stri...


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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n/an/an/an/a 56n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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n/an/an/an/a 63n/an/an/an/a


TBA

Assay Description
5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50212465
PNG
(RENZAPRIDE | Renzapride)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-3-5-19-4-2-9(13)8-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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n/an/an/an/a 63n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae


Bioorg Med Chem Lett 3: 633-634 (1993)


Article DOI: 10.1016/S0960-894X(01)81243-9
BindingDB Entry DOI: 10.7270/Q23T9JD7
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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n/an/an/an/a 66n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Tested for agonist activity at the 5-hydroxytryptamine 4 receptor in the rat tunica muscularis mucosae (TMM) assay of racemate mixture


Bioorg Med Chem Lett 14: 3073-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.021
BindingDB Entry DOI: 10.7270/Q25T3JX9
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50122873
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O
Show InChI InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25)
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n/an/an/an/a 72n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for ability to stimulate production of cAMP mediated by 5-hydroxytryptamine 4 receptor in mouse Colliculi neurons


J Med Chem 46: 319-44 (2003)


Article DOI: 10.1021/jm020099f
BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50449568
PNG
(CHEMBL2448558)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCC[C@@H]1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14+/m1/s1
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n/an/an/an/a 98n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50212465
PNG
(RENZAPRIDE | Renzapride)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-3-5-19-4-2-9(13)8-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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n/an/an/an/a 98n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus stri...


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50142920
PNG
(CHEMBL3759944)
Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C25H39ClN4O4/c1-25(2,3)24(32)30-10-6-16(7-11-30)14-29-9-8-20(22(15-29)34-5)28-23(31)17-12-18(26)19(27)13-21(17)33-4/h12-13,16,20,22H,6-11,14-15,27H2,1-5H3,(H,28,31)/t20-,22+/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50388686
PNG
(CHEMBL74656)
Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=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)/t20-,22+/m0/s1
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n/an/an/an/a 102n/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction


Eur J Med Chem 109: 75-88 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.006
BindingDB Entry DOI: 10.7270/Q2TT4SSP
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181845
PNG
((1S,7aS)-1-{[(4-amino-5-chloro-2-methoxybenzoyl)am...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12
Show InChI InChI=1S/C17H24ClN3O2/c1-21-6-3-4-15(21)11(5-7-21)10-20-17(22)12-8-13(18)14(19)9-16(12)23-2/h8-9,11,15H,3-7,10H2,1-2H3,(H2-,19,20,22)/p+1/t11-,15-,21+/m0/s1
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n/an/an/an/a 129n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181838
PNG
(4-amino-5-chloro-2-ethoxy-N-[(1S,7aS)-hexahydro-1H...)
Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C17H24ClN3O2/c1-2-23-16-9-14(19)13(18)8-12(16)17(22)20-10-11-5-7-21-6-3-4-15(11)21/h8-9,11,15H,2-7,10,19H2,1H3,(H,20,22)/t11-,15-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288586
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1
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n/an/an/an/a 195n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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n/an/an/an/a 203n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus stri...


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
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