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Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with all data for entry = 50041746   
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))
BDBM50414717
PNG
(CHEMBL552484)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN(C)CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C32H46ClN5O2/c1-37(18-13-24-23-35-30-12-8-7-11-26(24)30)16-9-5-3-4-6-10-17-38-19-14-25(15-20-38)36-32(39)27-21-28(33)29(34)22-31(27)40-2/h7-8,11-12,21-23,25,35H,3-6,9-10,13-20,34H2,1-2H3,(H,36,39)
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1.26n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414716
PNG
(CHEMBL561278)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN(C)CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C29H40ClN5O2/c1-34(15-10-21-20-32-27-9-5-4-8-23(21)27)13-6-3-7-14-35-16-11-22(12-17-35)33-29(36)24-18-25(30)26(31)19-28(24)37-2/h4-5,8-9,18-20,22,32H,3,6-7,10-17,31H2,1-2H3,(H,33,36)
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1.58n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414722
PNG
(CHEMBL539713)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H47N5O3/c1-22(2)37-28-12-7-6-11-23(28)19-27(32(37)40)31(39)34-24-20-25-14-15-26(21-24)36(25)18-9-5-3-4-8-16-35-17-10-13-29(35)30(33)38/h6-7,11-12,19,22,24-26,29H,3-5,8-10,13-18,20-21H2,1-2H3,(H2,33,38)(H,34,39)/t24-,25+,26-,29-/m0/s1
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2n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414728
PNG
(CHEMBL559322)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCOCC1 |r|
Show InChI InChI=1S/C31H46N4O3/c1-23(2)35-29-11-7-6-10-24(29)20-28(31(35)37)30(36)32-25-21-26-12-13-27(22-25)34(26)15-9-5-3-4-8-14-33-16-18-38-19-17-33/h6-7,10-11,20,23,25-27H,3-5,8-9,12-19,21-22H2,1-2H3,(H,32,36)/t25-,26+,27-
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2n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414736
PNG
(CHEMBL540981)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC(CNS(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C34H53N5O4S/c1-25(2)39-32-12-8-7-11-27(32)21-31(34(39)41)33(40)36-28-22-29-13-14-30(23-28)38(29)18-10-6-4-5-9-17-37-19-15-26(16-20-37)24-35-44(3,42)43/h7-8,11-12,21,25-26,28-30,35H,4-6,9-10,13-20,22-24H2,1-3H3,(H,36,40)/t28-,29+,30-
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2.51n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414734
PNG
(CHEMBL551013)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCCCC1 |r|
Show InChI InChI=1S/C32H48N4O2/c1-24(2)36-30-14-8-7-13-25(30)21-29(32(36)38)31(37)33-26-22-27-15-16-28(23-26)35(27)20-12-5-3-4-9-17-34-18-10-6-11-19-34/h7-8,13-14,21,24,26-28H,3-6,9-12,15-20,22-23H2,1-2H3,(H,33,37)/t26-,27+,28-
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2.51n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414705
PNG
(CHEMBL562636)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCCCC2)CC1
Show InChI InChI=1S/C26H43ClN4O2/c1-33-25-20-24(28)23(27)19-22(25)26(32)29-21-11-17-31(18-12-21)16-8-5-3-2-4-7-13-30-14-9-6-10-15-30/h19-21H,2-18,28H2,1H3,(H,29,32)
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3.16n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414708
PNG
(CHEMBL538706)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCCCC1 |r|
Show InChI InChI=1S/C33H50N4O2/c1-25(2)37-31-15-9-8-14-26(31)22-30(33(37)39)32(38)34-27-23-28-16-17-29(24-27)36(28)21-13-6-4-3-5-10-18-35-19-11-7-12-20-35/h8-9,14-15,22,25,27-29H,3-7,10-13,16-21,23-24H2,1-2H3,(H,34,38)/t28-,29-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414720
PNG
(CHEMBL555210)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN(C)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C39H53N5O2/c1-28(2)44-37-17-11-8-14-29(37)24-35(39(44)46)38(45)41-31-25-32-18-19-33(26-31)43(32)22-13-7-5-4-6-12-21-42(3)23-20-30-27-40-36-16-10-9-15-34(30)36/h8-11,14-17,24,27-28,31-33,40H,4-7,12-13,18-23,25-26H2,1-3H3,(H,41,45)/t31-,32+,33-
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3.16n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414719
PNG
(CHEMBL558163)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN(C)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C36H47N5O2/c1-25(2)41-34-14-8-5-11-26(34)21-32(36(41)43)35(42)38-28-22-29-15-16-30(23-28)40(29)19-10-4-9-18-39(3)20-17-27-24-37-33-13-7-6-12-31(27)33/h5-8,11-14,21,24-25,28-30,37H,4,9-10,15-20,22-23H2,1-3H3,(H,38,42)/t28-,29+,30-
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3.16n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414732
PNG
(CHEMBL539651)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C37H51N5O2/c1-28(2)42-35-16-10-9-13-29(35)25-34(37(42)44)36(43)38-30-26-32-17-18-33(27-30)41(32)20-12-5-3-4-11-19-39-21-23-40(24-22-39)31-14-7-6-8-15-31/h6-10,13-16,25,28,30,32-33H,3-5,11-12,17-24,26-27H2,1-2H3,(H,38,43)/t30-,32+,33-
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3.98n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414735
PNG
(CHEMBL555223)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC(CNS(C)(=O)=O)CC1 |r|
Show InChI InChI=1S/C30H45N5O4S/c1-21(2)35-28-8-5-4-7-23(28)17-27(30(35)37)29(36)32-24-18-25-9-10-26(19-24)34(25)14-6-13-33-15-11-22(12-16-33)20-31-40(3,38)39/h4-5,7-8,17,21-22,24-26,31H,6,9-16,18-20H2,1-3H3,(H,32,36)/t24-,25+,26-
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5.01n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414707
PNG
(CHEMBL558719)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCCCC1 |r|
Show InChI InChI=1S/C30H44N4O2/c1-22(2)34-28-12-6-5-11-23(28)19-27(30(34)36)29(35)31-24-20-25-13-14-26(21-24)33(25)18-10-4-9-17-32-15-7-3-8-16-32/h5-6,11-12,19,22,24-26H,3-4,7-10,13-18,20-21H2,1-2H3,(H,31,35)/t25-,26-/m1/s1
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5.01n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414730
PNG
(CHEMBL553404)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN(C)CCCN(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C33H53N5O4S/c1-25(2)38-31-15-10-9-14-26(31)22-30(33(38)40)32(39)34-27-23-28-16-17-29(24-27)37(28)21-12-8-6-7-11-18-35(3)19-13-20-36(4)43(5,41)42/h9-10,14-15,22,25,27-29H,6-8,11-13,16-21,23-24H2,1-5H3,(H,34,39)/t27-,28+,29-
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5.01n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414733
PNG
(CHEMBL561398)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCCCC1 |r|
Show InChI InChI=1S/C28H40N4O2/c1-20(2)32-26-10-5-4-9-21(26)17-25(28(32)34)27(33)29-22-18-23-11-12-24(19-22)31(23)16-8-15-30-13-6-3-7-14-30/h4-5,9-10,17,20,22-24H,3,6-8,11-16,18-19H2,1-2H3,(H,29,33)/t22-,23-,24+
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6.31n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414724
PNG
(CHEMBL538956)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C34H51N5O4/c1-4-43-34(42)37-20-18-36(19-21-37)16-10-6-5-7-11-17-38-28-14-15-29(38)24-27(23-28)35-32(40)30-22-26-12-8-9-13-31(26)39(25(2)3)33(30)41/h8-9,12-13,22,25,27-29H,4-7,10-11,14-21,23-24H2,1-3H3,(H,35,40)/t27-,28+,29-
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7.94n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414731
PNG
(CHEMBL555222)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C33H43N5O2/c1-24(2)38-31-12-7-6-9-25(31)21-30(33(38)40)32(39)34-26-22-28-13-14-29(23-26)37(28)16-8-15-35-17-19-36(20-18-35)27-10-4-3-5-11-27/h3-7,9-12,21,24,26,28-29H,8,13-20,22-23H2,1-2H3,(H,34,39)/t26-,28+,29-
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7.94n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414669
PNG
(CHEMBL552796)
Show SMILES CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc12
Show InChI InChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
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7.94n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414726
PNG
(CHEMBL555693)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C32H49N5O4S/c1-24(2)37-30-12-8-7-11-25(30)21-29(32(37)39)31(38)33-26-22-27-13-14-28(23-26)36(27)16-10-6-4-5-9-15-34-17-19-35(20-18-34)42(3,40)41/h7-8,11-12,21,24,26-28H,4-6,9-10,13-20,22-23H2,1-3H3,(H,33,38)/t26-,27+,28-
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10n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414704
PNG
(CHEMBL562902)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1
Show InChI InChI=1S/C23H37ClN4O2/c1-30-22-17-21(25)20(24)16-19(22)23(29)26-18-8-14-28(15-9-18)13-7-3-6-12-27-10-4-2-5-11-27/h16-18H,2-15,25H2,1H3,(H,26,29)
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10n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50388687
PNG
(CHEMBL538635)
Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414695
PNG
(CHEMBL559317)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C33H38N4O4/c1-21(2)37-29-13-7-4-10-22(29)18-28(33(37)41)30(38)34-23-19-24-14-15-25(20-23)35(24)16-8-3-9-17-36-31(39)26-11-5-6-12-27(26)32(36)40/h4-7,10-13,18,21,23-25H,3,8-9,14-17,19-20H2,1-2H3,(H,34,38)/t24-,25-/m1/s1
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15.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414714
PNG
(CHEMBL556326)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C33H51N5O4S/c1-25(2)38-31-13-9-8-12-26(31)22-30(33(38)40)32(39)34-27-23-28-14-15-29(24-27)37(28)17-11-7-5-4-6-10-16-35-18-20-36(21-19-35)43(3,41)42/h8-9,12-13,22,25,27-29H,4-7,10-11,14-21,23-24H2,1-3H3,(H,34,39)/t28-,29-/m1/s1
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15.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414713
PNG
(CHEMBL553685)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H45N5O4S/c1-22(2)35-28-10-6-5-9-23(28)19-27(30(35)37)29(36)31-24-20-25-11-12-26(21-24)34(25)14-8-4-7-13-32-15-17-33(18-16-32)40(3,38)39/h5-6,9-10,19,22,24-26H,4,7-8,11-18,20-21H2,1-3H3,(H,31,36)/t25-,26-/m1/s1
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15.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414711
PNG
(CHEMBL558261)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCN(CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H44ClN5O4S/c1-36-25-20-24(28)23(27)19-22(25)26(33)29-21-9-13-30(14-10-21)11-7-5-3-4-6-8-12-31-15-17-32(18-16-31)37(2,34)35/h19-21H,3-18,28H2,1-2H3,(H,29,33)
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15.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414692
PNG
(CHEMBL557867)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H31ClN4O4/c1-35-23-16-22(28)21(27)15-20(23)24(32)29-17-9-13-30(14-10-17)11-5-2-6-12-31-25(33)18-7-3-4-8-19(18)26(31)34/h3-4,7-8,15-17H,2,5-6,9-14,28H2,1H3,(H,29,32)
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19.9n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50388687
PNG
(CHEMBL538635)
Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1
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19.9n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414696
PNG
(CHEMBL556279)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C36H44N4O4/c1-24(2)40-32-16-10-7-13-25(32)21-31(36(40)44)33(41)37-26-22-27-17-18-28(23-26)38(27)19-11-5-3-4-6-12-20-39-34(42)29-14-8-9-15-30(29)35(39)43/h7-10,13-16,21,24,26-28H,3-6,11-12,17-20,22-23H2,1-2H3,(H,37,41)/t27-,28-/m1/s1
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31.6n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414725
PNG
(CHEMBL549449)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H41N5O4S/c1-20(2)33-26-8-5-4-7-21(26)17-25(28(33)35)27(34)29-22-18-23-9-10-24(19-22)32(23)12-6-11-30-13-15-31(16-14-30)38(3,36)37/h4-5,7-8,17,20,22-24H,6,9-16,18-19H2,1-3H3,(H,29,34)/t22-,23+,24-
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414718
PNG
(CHEMBL541223)
Show SMILES [H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN(C)CCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H41N5O2/c1-22(2)38-31-11-7-4-8-23(31)18-29(33(38)40)32(39)35-25-19-26-12-13-27(20-25)37(26)17-16-36(3)15-14-24-21-34-30-10-6-5-9-28(24)30/h4-11,18,21-22,25-27,34H,12-17,19-20H2,1-3H3,(H,35,39)/t26-,27-/m0/s1
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414693
PNG
(CHEMBL559548)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C29H37ClN4O4/c1-38-26-19-25(31)24(30)18-23(26)27(35)32-20-12-16-33(17-13-20)14-8-4-2-3-5-9-15-34-28(36)21-10-6-7-11-22(21)29(34)37/h6-7,10-11,18-20H,2-5,8-9,12-17,31H2,1H3,(H,32,35)
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414672
PNG
(CHEMBL560940)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NCC2CCNCC2)c1=O
Show InChI InChI=1S/C17H24N4O2/c1-12(2)20-14-5-3-4-6-15(14)21(17(20)23)16(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414715
PNG
(CHEMBL556595)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN(C)CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C26H34ClN5O2/c1-31(10-7-18-17-29-24-6-4-3-5-20(18)24)13-14-32-11-8-19(9-12-32)30-26(33)21-15-22(27)23(28)16-25(21)34-2/h3-6,15-17,19,29H,7-14,28H2,1-2H3,(H,30,33)
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414710
PNG
(CHEMBL558924)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCN(CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C23H38ClN5O4S/c1-33-22-17-21(25)20(24)16-19(22)23(30)26-18-6-10-27(11-7-18)8-4-3-5-9-28-12-14-29(15-13-28)34(2,31)32/h16-18H,3-15,25H2,1-2H3,(H,26,30)
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414727
PNG
(CHEMBL549650)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCOCC1 |r|
Show InChI InChI=1S/C27H38N4O3/c1-19(2)31-25-7-4-3-6-20(25)16-24(27(31)33)26(32)28-21-17-22-8-9-23(18-21)30(22)11-5-10-29-12-14-34-15-13-29/h3-4,6-7,16,19,21-23H,5,8-15,17-18H2,1-2H3,(H,28,32)/t21-,22-,23+
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414723
PNG
(CHEMBL540980)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C30H43N5O4/c1-4-39-30(38)33-16-14-32(15-17-33)12-7-13-34-24-10-11-25(34)20-23(19-24)31-28(36)26-18-22-8-5-6-9-27(22)35(21(2)3)29(26)37/h5-6,8-9,18,21,23-25H,4,7,10-17,19-20H2,1-3H3,(H,31,36)/t23-,24+,25-
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39.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414721
PNG
(CHEMBL558855)
Show SMILES [H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H39N5O3/c1-18(2)33-24-8-4-3-7-19(24)15-23(28(33)36)27(35)30-20-16-21-10-11-22(17-20)32(21)14-6-13-31-12-5-9-25(31)26(29)34/h3-4,7-8,15,18,20-22,25H,5-6,9-14,16-17H2,1-2H3,(H2,29,34)(H,30,35)/t21-,22-,25-/m0/s1
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50.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414661
PNG
(CHEMBL541968)
Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m1/s1
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50.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414690
PNG
(CHEMBL560876)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCO |r|
Show InChI InChI=1S/C28H41N3O3/c1-20(2)31-26-12-8-7-11-21(26)17-25(28(31)34)27(33)29-22-18-23-13-14-24(19-22)30(23)15-9-5-3-4-6-10-16-32/h7-8,11-12,17,20,22-24,32H,3-6,9-10,13-16,18-19H2,1-2H3,(H,29,33)/t23-,24-/m1/s1
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50.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414702
PNG
(CHEMBL550122)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCS(O)(=O)=O |r|
Show InChI InChI=1S/C28H41N3O5S/c1-20(2)31-26-12-8-7-11-21(26)17-25(28(31)33)27(32)29-22-18-23-13-14-24(19-22)30(23)15-9-5-3-4-6-10-16-37(34,35)36/h7-8,11-12,17,20,22-24H,3-6,9-10,13-16,18-19H2,1-2H3,(H,29,32)(H,34,35,36)/t23-,24-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414712
PNG
(CHEMBL565146)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H39N5O4S/c1-19(2)32-25-7-5-4-6-20(25)16-24(27(32)34)26(33)28-21-17-22-8-9-23(18-21)31(22)15-12-29-10-13-30(14-11-29)37(3,35)36/h4-7,16,19,21-23H,8-15,17-18H2,1-3H3,(H,28,33)/t22-,23-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414684
PNG
(CHEMBL562400)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCC |r|
Show InChI InChI=1S/C28H41N3O2/c1-4-5-6-7-8-11-16-30-23-14-15-24(30)19-22(18-23)29-27(32)25-17-21-12-9-10-13-26(21)31(20(2)3)28(25)33/h9-10,12-13,17,20,22-24H,4-8,11,14-16,18-19H2,1-3H3,(H,29,32)/t23-,24-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50388688
PNG
(CHEMBL550064)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1nn(C(C)C)c3ccccc13)N2 |r|
Show InChI InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414689
PNG
(CHEMBL563261)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCO |r|
Show InChI InChI=1S/C25H35N3O3/c1-17(2)28-23-9-5-4-8-18(23)14-22(25(28)31)24(30)26-19-15-20-10-11-21(16-19)27(20)12-6-3-7-13-29/h4-5,8-9,14,17,19-21,29H,3,6-7,10-13,15-16H2,1-2H3,(H,26,30)/t20-,21-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414686
PNG
(CHEMBL552693)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCO)CC1
Show InChI InChI=1S/C18H28ClN3O3/c1-25-17-12-16(20)15(19)11-14(17)18(24)21-13-5-8-22(9-6-13)7-3-2-4-10-23/h11-13,23H,2-10,20H2,1H3,(H,21,24)
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414683
PNG
(CHEMBL551941)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCC |r|
Show InChI InChI=1S/C25H35N3O2/c1-4-5-8-13-27-20-11-12-21(27)16-19(15-20)26-24(29)22-14-18-9-6-7-10-23(18)28(17(2)3)25(22)30/h6-7,9-10,14,17,19-21H,4-5,8,11-13,15-16H2,1-3H3,(H,26,29)/t20-,21-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414706
PNG
(CHEMBL558259)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCCCC1 |r|
Show InChI InChI=1S/C27H38N4O2/c1-19(2)31-25-9-5-4-8-20(25)16-24(27(31)33)26(32)28-21-17-22-10-11-23(18-21)30(22)15-14-29-12-6-3-7-13-29/h4-5,8-9,16,19,21-23H,3,6-7,10-15,17-18H2,1-2H3,(H,28,32)/t22-,23-/m1/s1
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79.4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414681
PNG
(CHEMBL551940)
Show SMILES CCCCCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C21H34ClN3O2/c1-3-4-5-6-7-8-11-25-12-9-16(10-13-25)24-21(26)17-14-18(22)19(23)15-20(17)27-2/h14-16H,3-13,23H2,1-2H3,(H,24,26)
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79.4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414687
PNG
(CHEMBL555447)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCO)CC1
Show InChI InChI=1S/C21H34ClN3O3/c1-28-20-15-19(23)18(22)14-17(20)21(27)24-16-8-11-25(12-9-16)10-6-4-2-3-5-7-13-26/h14-16,26H,2-13,23H2,1H3,(H,24,27)
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79.4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414680
PNG
(CHEMBL557053)
Show SMILES CCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C18H28ClN3O2/c1-3-4-5-8-22-9-6-13(7-10-22)21-18(23)14-11-15(19)16(20)12-17(14)24-2/h11-13H,3-10,20H2,1-2H3,(H,21,23)
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100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
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