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Compile Data Set for Download or QSAR

Found 33 hits of kd for UniProtKB: P35563   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455955
PNG
(CHEMBL411467)
Show SMILES OC(=O)CCC(O)=O.COc1ccccc1C(=O)NC(=O)OC1CC2CCC(C1)N2C |TLB:21:22:29:25.26|
Show InChI InChI=1S/C17H22N2O4.C4H6O4/c1-19-11-7-8-12(19)10-13(9-11)23-17(21)18-16(20)14-5-3-4-6-15(14)22-2;5-3(6)1-2-4(7)8/h3-6,11-13H,7-10H2,1-2H3,(H,18,20,21);1-2H2,(H,5,6)(H,7,8)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288285
PNG
(CHEMBL90314 | N-(S)-1-Aza-bicyclo[2.2.2]oct-3-yl-5...)
Show SMILES COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.13,(16.29,-14.6,;16.29,-13.05,;14.96,-12.28,;13.61,-13.05,;13.61,-14.67,;12.28,-12.28,;12.28,-10.73,;10.87,-9.92,;13.61,-9.96,;14.96,-10.73,;16.29,-9.96,;16.29,-8.41,;17.64,-10.73,;18.97,-9.96,;20.29,-10.73,;21.62,-9.97,;21.63,-8.44,;20.3,-7.66,;18.95,-8.42,;19.71,-9.75,;21.04,-8.99,)|
Show InChI InChI=1S/C15H18ClIN2O2/c1-21-14-11(6-10(16)7-12(14)17)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8H2,1H3,(H,18,20)/t13-/m1/s1
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n/an/an/a 0.150n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455957
PNG
(CHEMBL431499)
Show SMILES Cc1ccc(cc1)S(O)(=O)=O.COc1ccccc1C(=O)NC(=O)NC1CC2CCCC(C1)N2C |TLB:24:25:33:28.30.29|
Show InChI InChI=1S/C18H25N3O3.C7H8O3S/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23);2-5H,1H3,(H,8,9,10)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455956
PNG
(CHEMBL2114412)
Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)|
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455958
PNG
(CHEMBL39479)
Show SMILES OC(=O)C(O)=O.CCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:21:22:29:25.26|
Show InChI InChI=1S/C19H27N3O3.C2H2O4/c1-3-10-25-17-7-5-4-6-16(17)18(23)21-19(24)20-13-11-14-8-9-15(12-13)22(14)2;3-1(4)2(5)6/h4-7,13-15H,3,8-12H2,1-2H3,(H2,20,21,23,24);(H,3,4)(H,5,6)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455959
PNG
(CHEMBL37257)
Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)|
Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455960
PNG
(CHEMBL288430)
Show SMILES OC(=O)C(O)=O.COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:19:20:27:23.24|
Show InChI InChI=1S/C17H23N3O3.C2H2O4/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)19-16(21)14-5-3-4-6-15(14)23-2;3-1(4)2(5)6/h3-6,11-13H,7-10H2,1-2H3,(H2,18,19,21,22);(H,3,4)(H,5,6)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455961
PNG
(CHEMBL37307)
Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)|
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455962
PNG
(CHEMBL36157)
Show SMILES OC(=O)\C=C\C(O)=O.CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:22:23:30:26.27|
Show InChI InChI=1S/C18H25N3O3.C4H4O4/c1-3-24-16-7-5-4-6-15(16)17(22)20-18(23)19-12-10-13-8-9-14(11-12)21(13)2;5-3(6)1-2-4(7)8/h4-7,12-14H,3,8-11H2,1-2H3,(H2,19,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
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)
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n/an/an/a 0.794n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455963
PNG
(CHEMBL544952)
Show SMILES Cl.COc1ccc(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
Show InChI InChI=1S/C17H22ClN3O3.ClH/c1-21-12-4-5-13(21)9-11(8-12)19-17(23)20-16(22)14-7-10(18)3-6-15(14)24-2;/h3,6-7,11-13H,4-5,8-9H2,1-2H3,(H2,19,20,22,23);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455964
PNG
(CHEMBL542090)
Show SMILES Cl.CCCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:18:19:26:22.23|
Show InChI InChI=1S/C21H31N3O3.ClH/c1-3-4-7-12-27-19-9-6-5-8-18(19)20(25)23-21(26)22-15-13-16-10-11-17(14-15)24(16)2;/h5-6,8-9,15-17H,3-4,7,10-14H2,1-2H3,(H2,22,23,25,26);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455965
PNG
(CHEMBL36796)
Show SMILES OC(=O)CCC(O)=O.Fc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(16.6,-16.95,;17.37,-15.63,;18.91,-15.63,;16.6,-14.3,;15.06,-14.3,;14.3,-15.63,;15.06,-16.95,;12.76,-15.63,;-.67,-13.94,;-.66,-15.48,;-1.99,-16.25,;-1.99,-17.79,;-.66,-18.56,;.67,-17.79,;.67,-16.25,;2,-15.47,;1.99,-13.93,;3.33,-16.22,;4.65,-15.45,;4.65,-13.91,;6,-16.22,;7.31,-15.45,;8.71,-16.25,;10.1,-15.45,;10.1,-13.82,;8.71,-13.01,;7.31,-13.82,;9.01,-14.23,;7.88,-15.13,)|
Show InChI InChI=1S/C15H18FN3O2.C4H6O4/c16-12-4-2-1-3-11(12)14(20)18-15(21)17-13-9-19-7-5-10(13)6-8-19;5-3(6)1-2-4(7)8/h1-4,10,13H,5-9H2,(H2,17,18,20,21);1-2H2,(H,5,6)(H,7,8)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455966
PNG
(CHEMBL39621)
Show SMILES OC(=O)\C=C\C(O)=O.CC(C)COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:24:25:32:28.29|
Show InChI InChI=1S/C20H29N3O3.C4H4O4/c1-13(2)12-26-18-7-5-4-6-17(18)19(24)22-20(25)21-14-10-15-8-9-16(11-14)23(15)3;5-3(6)1-2-4(7)8/h4-7,13-16H,8-12H2,1-3H3,(H2,21,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455967
PNG
(CHEMBL37239)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C)Oc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:23:24:31:27.28|
Show InChI InChI=1S/C19H27N3O3.C4H4O4/c1-12(2)25-17-7-5-4-6-16(17)18(23)21-19(24)20-13-10-14-8-9-15(11-13)22(14)3;5-3(6)1-2-4(7)8/h4-7,12-15H,8-11H2,1-3H3,(H2,20,21,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1-
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455968
PNG
(CHEMBL37416)
Show SMILES COc1cc(ccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C)[N+]([O-])=O |TLB:13:14:21:17.18|
Show InChI InChI=1S/C17H22N4O5/c1-20-11-3-4-12(20)8-10(7-11)18-17(23)19-16(22)14-6-5-13(21(24)25)9-15(14)26-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,18,19,22,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455969
PNG
(CHEMBL544944)
Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:16:17:24:20.21|
Show InChI InChI=1S/C17H23ClN4O3.ClH/c1-22-10-3-4-11(22)6-9(5-10)20-17(24)21-16(23)12-7-13(18)14(19)8-15(12)25-2;/h7-11H,3-6,19H2,1-2H3,(H2,20,21,23,24);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455970
PNG
(CHEMBL544002)
Show SMILES Cl.CCCCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:17:18:25:21.22|
Show InChI InChI=1S/C20H29N3O3.ClH/c1-3-4-11-26-18-8-6-5-7-17(18)19(24)22-20(25)21-14-12-15-9-10-16(13-14)23(15)2;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,21,22,24,25);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455971
PNG
(CHEMBL289115)
Show SMILES OC(=O)\C=C/C(O)=O.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1 |THB:17:15:9:11.12|
Show InChI InChI=1S/C20H27N3O3.C4H4O4/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13;5-3(6)1-2-4(7)8/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455972
PNG
(CHEMBL286676)
Show SMILES CN1CCC(CC1)OC(=O)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H16Cl2N2O3/c1-18-4-2-12(3-5-18)21-14(20)17-13(19)9-6-10(15)8-11(16)7-9/h6-8,12H,2-5H2,1H3,(H,17,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM82561
PNG
(CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455973
PNG
(CHEMBL555557)
Show SMILES Cl.COc1cc(N)ccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
Show InChI InChI=1S/C17H24N4O3.ClH/c1-21-12-4-5-13(21)9-11(8-12)19-17(23)20-16(22)14-6-3-10(18)7-15(14)24-2;/h3,6-7,11-13H,4-5,8-9,18H2,1-2H3,(H2,19,20,22,23);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455974
PNG
(CHEMBL544244)
Show SMILES Cl.COc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:14:15:22:18.19|
Show InChI InChI=1S/C17H23N3O3.ClH/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)19-16(21)14-5-3-4-6-15(14)23-2;/h3-6,11-13H,7-10H2,1-2H3,(H2,18,19,21,22);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455975
PNG
(CHEMBL36552)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccc(cc1)C(=O)NC(=O)NC1CN2CCC1CC2 |(16,-13.62,;16.77,-12.28,;18.3,-12.28,;16,-10.97,;14.48,-10.97,;13.71,-12.28,;14.48,-13.62,;12.18,-12.28,;-5.13,-14.44,;-3.81,-15.21,;-2.47,-14.44,;-1.17,-15.21,;.17,-14.44,;.17,-12.9,;-1.17,-12.14,;-2.47,-12.9,;1.48,-12.12,;1.48,-10.59,;2.81,-12.88,;4.12,-12.12,;4.12,-10.59,;5.46,-12.87,;6.79,-12.11,;8.17,-12.9,;9.56,-12.11,;7.34,-11.8,;8.47,-10.9,;6.79,-10.48,;8.17,-9.69,;9.56,-10.48,)|
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-13-4-2-12(3-5-13)15(20)18-16(21)17-14-10-19-8-6-11(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455976
PNG
(CHEMBL544476)
Show SMILES Cl.Clc1cc(Cl)cc(c1)C(=O)NC(=O)NC1CN2CCC1CC2 |THB:14:15:19.18:21.22,(9.87,,;2.37,6.39,;2.6,4.87,;4.03,4.31,;4.26,2.78,;5.69,2.22,;3.06,1.82,;1.62,2.39,;1.39,3.91,;.42,1.43,;-1.02,1.99,;.65,-.09,;-.56,-1.05,;-1.99,-.49,;-.33,-2.58,;-1.53,-3.54,;-1.25,-4.96,;-2.65,-4.31,;-4.21,-4.98,;-4.41,-3.57,;-2.91,-2.92,;-2.84,-1.24,;-2.39,-2.37,)|
Show InChI InChI=1S/C15H17Cl2N3O2.ClH/c16-11-5-10(6-12(17)7-11)14(21)19-15(22)18-13-8-20-3-1-9(13)2-4-20;/h5-7,9,13H,1-4,8H2,(H2,18,19,21,22);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455977
PNG
(CHEMBL39426)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cccc(OC)c1C(=O)NC(=O)NC1CN2CCC1CC2 |(12.65,-4.91,;11.12,-5.17,;10.15,-3.98,;10.36,-6.5,;8.82,-6.5,;8.05,-7.83,;8.82,-9.17,;6.51,-7.83,;-6.84,-2.63,;-5.51,-3.37,;-5.5,-4.91,;-6.82,-5.68,;-6.82,-7.24,;-5.5,-8.01,;-4.16,-7.24,;-2.84,-8.01,;-2.84,-9.54,;-4.16,-5.68,;-2.84,-4.91,;-2.85,-3.37,;-1.51,-5.67,;-.18,-4.9,;-.18,-3.36,;1.16,-5.65,;2.48,-4.88,;3.88,-5.68,;5.26,-4.88,;3.04,-4.58,;4.17,-3.66,;2.48,-3.25,;3.88,-2.44,;5.26,-3.25,)|
Show InChI InChI=1S/C17H23N3O4.C4H4O4/c1-23-13-4-3-5-14(24-2)15(13)16(21)19-17(22)18-12-10-20-8-6-11(12)7-9-20;5-3(6)1-2-4(7)8/h3-5,11-12H,6-10H2,1-2H3,(H2,18,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455978
PNG
(CHEMBL39934)
Show SMILES OC(=O)C(O)=O.CC(C)CCOc1ccccc1C(=O)NC(=O)NC1CC2CCC(C1)N2C |TLB:23:24:31:27.28|
Show InChI InChI=1S/C21H31N3O3.C2H2O4/c1-14(2)10-11-27-19-7-5-4-6-18(19)20(25)23-21(26)22-15-12-16-8-9-17(13-15)24(16)3;3-1(4)2(5)6/h4-7,14-17H,8-13H2,1-3H3,(H2,22,23,25,26);(H,3,4)(H,5,6)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455979
PNG
(CHEMBL543769)
Show SMILES Cl.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1O |THB:10:8:2:4.5|
Show InChI InChI=1S/C16H21N3O3.ClH/c1-19-11-6-7-12(19)9-10(8-11)17-16(22)18-15(21)13-4-2-3-5-14(13)20;/h2-5,10-12,20H,6-9H2,1H3,(H2,17,18,21,22);1H
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455980
PNG
(CHEMBL37419)
Show SMILES OC(=O)C(O)=O.COc1ccccc1C(=O)NC(=O)OC1CN2CCC1CC2 |(16.92,-15.69,;16.14,-14.38,;16.88,-13.04,;14.61,-14.41,;13.87,-15.76,;13.8,-13.1,;-1.85,-12.78,;-.51,-13.53,;-.5,-15.06,;-1.83,-15.83,;-1.83,-17.39,;-.5,-18.16,;.83,-17.39,;.83,-15.83,;2.16,-15.06,;2.15,-13.53,;3.49,-15.82,;4.82,-15.05,;4.82,-13.52,;6.16,-15.8,;7.47,-15.03,;8.87,-15.83,;10.26,-15.03,;10.26,-13.4,;8.87,-12.6,;7.47,-13.4,;9.17,-13.82,;8.04,-14.73,)|
Show InChI InChI=1S/C16H20N2O4.C2H2O4/c1-21-13-5-3-2-4-12(13)15(19)17-16(20)22-14-10-18-8-6-11(14)7-9-18;3-1(4)2(5)6/h2-5,11,14H,6-10H2,1H3,(H,17,19,20);(H,3,4)(H,5,6)
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288284
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-iodo-2-...)
Show SMILES COc1cc(N)c(I)cc1C(=O)NC1CN2CCC1CC2 |(16.09,-14.57,;16.09,-13.02,;14.76,-12.26,;13.41,-13.02,;12.08,-12.26,;10.74,-13.02,;12.08,-10.71,;10.74,-9.94,;13.41,-9.94,;14.76,-10.71,;16.09,-9.94,;16.09,-8.4,;17.42,-10.71,;18.74,-9.94,;20.07,-10.71,;21.39,-9.95,;21.42,-8.42,;20.08,-7.64,;18.74,-8.41,;19.5,-9.73,;20.82,-8.97,)|
Show InChI InChI=1S/C15H20IN3O2/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)
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n/an/an/a 2.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
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)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat brain using [3H]-zacopride as the radioligand.


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455956
PNG
(CHEMBL2114412)
Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)|
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 7.10n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair