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Compile Data Set for Download or QSAR

Found 61 hits from Angelini Santa Palomba Research Center   
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 (5-HT4)


(Homo sapiens (Human))
BDBM50398985
PNG
(CHEMBL2177130)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,30)
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0.0794n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398983
PNG
(CHEMBL2179697)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
Show InChI InChI=1S/C24H31N5O/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30)
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0.100n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398981
PNG
(CHEMBL2179699)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C25H38N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h6-7,10-11,19-21H,3-5,8-9,12-18H2,1-2H3,(H,26,30)
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0.158n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(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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0.158n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398975
PNG
(CHEMBL2179706)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H33N5O/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(26)10-8-19/h3-10,18,20H,11-17,26H2,1-2H3,(H,27,31)
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0.200n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398978
PNG
(CHEMBL2179704)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O2/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(30)10-8-19/h3-10,18,20,30H,11-17H2,1-2H3,(H,26,31)
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0.251n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398976
PNG
(CHEMBL2179702)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C20H31N5O3S/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26)
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0.316n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398980
PNG
(CHEMBL2179700)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
Show InChI InChI=1S/C23H35N5O2/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27/h3-6,18-19H,7-17H2,1-2H3,(H,24,29)
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0.398n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398986
PNG
(CHEMBL2179703)
Show SMILES CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1
Show InChI InChI=1S/C21H31N5O2/c1-15(2)26-18-7-5-4-6-17(18)20(24-26)21(28)23-14-16-8-11-25(12-9-16)13-10-19(27)22-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)(H,23,28)
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0.501n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398984
PNG
(CHEMBL2179696)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29)
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0.631n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(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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0.794n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398979
PNG
(CHEMBL2179701)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc12
Show InChI InChI=1S/C22H35N5O/c1-17(2)27-20-9-6-5-8-19(20)21(24-27)22(28)23-16-18-10-14-26(15-11-18)13-7-12-25(3)4/h5-6,8-9,17-18H,7,10-16H2,1-4H3,(H,23,28)
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0.794n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398977
PNG
(CHEMBL2179705)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c2ccccc12
Show InChI InChI=1S/C25H31N5O3/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(10-8-19)30(32)33/h3-10,18,20H,11-17H2,1-2H3,(H,26,31)
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1.26n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398965
PNG
(CHEMBL2179670)
Show SMILES CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
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2n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(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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2n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398972
PNG
(CHEMBL2179678)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C26H29N3O/c1-28-17-23-22-9-5-6-10-25(22)27-26(24(23)18-28)30-19-21-12-15-29(16-13-21)14-11-20-7-3-2-4-8-20/h2-10,17-18,21H,11-16,19H2,1H3
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2n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398969
PNG
(CHEMBL2179676)
Show SMILES Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C24H32N4O2/c1-26-16-21-20-4-2-3-5-23(20)25-24(22(21)17-26)30-18-19-6-8-27(9-7-19)10-11-28-12-14-29-15-13-28/h2-5,16-17,19H,6-15,18H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398968
PNG
(CHEMBL2179675)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C26H30N4O/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)31-18-20-11-14-30(15-12-20)13-10-19-6-8-21(27)9-7-19/h2-9,16-17,20H,10-15,18,27H2,1H3
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5.01n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398973
PNG
(CHEMBL2179679)
Show SMILES CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
Show InChI InChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3
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7.94n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398967
PNG
(CHEMBL2179672)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C27H31N3O2/c1-29-16-24-23-4-2-3-5-26(23)28-27(25(24)17-29)32-19-22-11-14-30(15-12-22)13-10-20-6-8-21(18-31)9-7-20/h2-9,16-17,22,31H,10-15,18-19H2,1H3
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10n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50398978
PNG
(CHEMBL2179704)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O2/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(30)10-8-19/h3-10,18,20,30H,11-17H2,1-2H3,(H,26,31)
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10n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398966
PNG
(CHEMBL2179671)
Show SMILES COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H33N3O2/c1-30-17-25-24-5-3-4-6-27(24)29-28(26(25)18-30)33-20-23-12-15-31(16-13-23)14-11-21-7-9-22(10-8-21)19-32-2/h3-10,17-18,23H,11-16,19-20H2,1-2H3
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19.9n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50398985
PNG
(CHEMBL2177130)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,30)
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31.6n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398967
PNG
(CHEMBL2179672)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C27H31N3O2/c1-29-16-24-23-4-2-3-5-26(23)28-27(25(24)17-29)32-19-22-11-14-30(15-12-22)13-10-20-6-8-21(18-31)9-7-20/h2-9,16-17,22,31H,10-15,18-19H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398982
PNG
(CHEMBL2179698)
Show InChI InChI=1S/C26H34N4O.HI/c1-20(2)29-24-12-8-7-11-23(24)25(28-29)26(31)27-19-22-14-17-30(3,18-15-22)16-13-21-9-5-4-6-10-21;/h4-12,20,22H,13-19H2,1-3H3;1H
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31.6n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50398975
PNG
(CHEMBL2179706)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H33N5O/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(26)10-8-19/h3-10,18,20H,11-17,26H2,1-2H3,(H,27,31)
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79.4n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398972
PNG
(CHEMBL2179678)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C26H29N3O/c1-28-17-23-22-9-5-6-10-25(22)27-26(24(23)18-28)30-19-21-12-15-29(16-13-21)14-11-20-7-3-2-4-8-20/h2-10,17-18,21H,11-16,19H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398983
PNG
(CHEMBL2179697)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
Show InChI InChI=1S/C24H31N5O/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30)
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100n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398971
PNG
(CHEMBL2179677)
Show SMILES CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C28H33N3O/c1-21(2)31-18-25-24-10-6-7-11-27(24)29-28(26(25)19-31)32-20-23-13-16-30(17-14-23)15-12-22-8-4-3-5-9-22/h3-11,18-19,21,23H,12-17,20H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398971
PNG
(CHEMBL2179677)
Show SMILES CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C28H33N3O/c1-21(2)31-18-25-24-10-6-7-11-27(24)29-28(26(25)19-31)32-20-23-13-16-30(17-14-23)15-12-22-8-4-3-5-9-22/h3-11,18-19,21,23H,12-17,20H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398970
PNG
(CHEMBL2179673)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-8-4-5-9-25(22)28-26(24(23)17-29)33-18-19-10-13-30(14-11-19)15-12-20-6-2-3-7-21(20)27(31)32/h2-9,16-17,19H,10-15,18H2,1H3,(H,31,32)
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200n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50398966
PNG
(CHEMBL2179671)
Show SMILES COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H33N3O2/c1-30-17-25-24-5-3-4-6-27(24)29-28(26(25)18-30)33-20-23-12-15-31(16-13-23)14-11-21-7-9-22(10-8-21)19-32-2/h3-10,17-18,23H,11-16,19-20H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398968
PNG
(CHEMBL2179675)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C26H30N4O/c1-29-16-23-22-4-2-3-5-25(22)28-26(24(23)17-29)31-18-20-11-14-30(15-12-20)13-10-19-6-8-21(27)9-7-19/h2-9,16-17,20H,10-15,18,27H2,1H3
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251n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(Homo sapiens (Human))
BDBM50398974
PNG
(CHEMBL2179680)
Show SMILES Cn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1
Show InChI InChI=1S/C18H21N3O/c1-21-10-15-14-4-2-3-5-17(14)20-18(16(15)11-21)22-12-13-6-8-19-9-7-13/h2-5,10-11,13,19H,6-9,12H2,1H3
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398n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


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 2A


(Homo sapiens (human))
BDBM50398970
PNG
(CHEMBL2179673)
Show SMILES Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-8-4-5-9-25(22)28-26(24(23)17-29)33-18-19-10-13-30(14-11-19)15-12-20-6-2-3-7-21(20)27(31)32/h2-9,16-17,19H,10-15,18H2,1H3,(H,31,32)
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794n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398984
PNG
(CHEMBL2179696)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398982
PNG
(CHEMBL2179698)
Show InChI InChI=1S/C26H34N4O.HI/c1-20(2)29-24-12-8-7-11-23(24)25(28-29)26(31)27-19-22-14-17-30(3,18-15-22)16-13-21-9-5-4-6-10-21;/h4-12,20,22H,13-19H2,1-3H3;1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398981
PNG
(CHEMBL2179699)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C25H38N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h6-7,10-11,19-21H,3-5,8-9,12-18H2,1-2H3,(H,26,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398980
PNG
(CHEMBL2179700)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
Show InChI InChI=1S/C23H35N5O2/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27/h3-6,18-19H,7-17H2,1-2H3,(H,24,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398979
PNG
(CHEMBL2179701)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc12
Show InChI InChI=1S/C22H35N5O/c1-17(2)27-20-9-6-5-8-19(20)21(24-27)22(28)23-16-18-10-14-26(15-11-18)13-7-12-25(3)4/h5-6,8-9,17-18H,7,10-16H2,1-4H3,(H,23,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398976
PNG
(CHEMBL2179702)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C20H31N5O3S/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398973
PNG
(CHEMBL2179679)
Show SMILES CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
Show InChI InChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398977
PNG
(CHEMBL2179705)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c2ccccc12
Show InChI InChI=1S/C25H31N5O3/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(10-8-19)30(32)33/h3-10,18,20H,11-17H2,1-2H3,(H,26,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398965
PNG
(CHEMBL2179670)
Show SMILES CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
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3.16E+3n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(Homo sapiens (human))
BDBM50398969
PNG
(CHEMBL2179676)
Show SMILES Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
Show InChI InChI=1S/C24H32N4O2/c1-26-16-21-20-4-2-3-5-23(20)25-24(22(21)17-26)30-18-19-6-8-27(9-7-19)10-11-28-12-14-29-15-13-28/h2-5,16-17,19H,6-15,18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 2A


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells


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 (5-HT4)


(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 (5-HT4)


(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
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