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Compile Data Set for Download or QSAR

Found 1153 hits Enz. Inhib. hit(s) with Target = 'Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282059
PNG
(CHEMBL433452 | quinuclidine derivative)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12 |wD:3.2,(5.68,-6.17,;5.7,-7.71,;7.04,-8.46,;8.37,-7.69,;9.7,-8.46,;11.03,-7.69,;10.21,-6.38,;9.12,-7.48,;8.35,-6.15,;9.69,-5.38,;11.03,-6.15,;4.37,-8.48,;4.37,-10.03,;3.02,-10.8,;1.69,-10.03,;1.69,-8.49,;.37,-7.72,;.36,-6.2,;1.69,-5.42,;3.02,-6.19,;3.02,-7.72,)|
Show InChI InChI=1S/C18H20N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,17H,8-12H2,(H,19,21)/t17-/m0/s1
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>0.00000100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004276
PNG
(1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...)
Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21|
Show InChI InChI=1S/C21H26N2O3/c1-13(2)23-19-7-5-4-6-17(19)18(12-20(23)24)21(25)26-16-10-14-8-9-15(11-16)22(14)3/h4-7,12-16H,8-11H2,1-3H3
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0.0320n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060242
PNG
(5-[3-(3,5-Dichloro-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H14Cl2N4O/c1-9-13(18-8-17-9)7-19-2-3-20(14(19)21)12-5-10(15)4-11(16)6-12/h4-6,8H,2-3,7H2,1H3,(H,17,18)/p+1
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0.0380n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)|
Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042715
PNG
(1-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C18H19N3O/c1-12-16(20-11-19-12)7-8-17(22)15-10-21-9-3-5-13-4-2-6-14(15)18(13)21/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,20)
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0.0750n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on histamine H1 receptor using [3H]- mepyramine as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166996
PNG
(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCc1c(nc2ccccc2c1C(=O)OCC)N1CCN(C)CC1
Show InChI InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
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0.0800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288587
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




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


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167002
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCN(CCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083190
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280507
PNG
(6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |wD:8.7,(4.27,-3.19,;5.81,-3.2,;6.51,-1.84,;8.05,-1.76,;8.86,-3.03,;10.43,-2.92,;11.1,-1.55,;11.27,-4.23,;12.8,-4.15,;13.62,-5.45,;15.16,-5.37,;15.86,-3.99,;15.02,-2.7,;13.48,-2.77,;13.88,-4.27,;14.88,-3.8,;10.54,-5.63,;11.41,-6.91,;9,-5.71,;8.31,-7.06,;6.77,-7.14,;5.93,-5.85,;6.65,-4.46,;8.17,-4.41,)|
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282053
PNG
(4-Amino-2-(1-aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]...)
Show SMILES Nc1ccc2cccc3C(=O)N(C4CN5CCC4CC5)C(=O)c1c23 |(5.72,-7.54,;4.39,-6.77,;3.04,-7.54,;1.71,-6.77,;1.71,-5.23,;.38,-4.46,;.38,-2.92,;1.71,-2.15,;3.04,-2.92,;4.37,-2.15,;4.37,-.61,;5.72,-2.92,;7.05,-2.15,;8.38,-2.92,;9.71,-2.15,;9.71,-.61,;8.38,.16,;7.03,-.61,;7.8,-1.94,;8.89,-.85,;5.72,-4.46,;7.05,-5.23,;4.37,-5.23,;3.04,-4.46,)|
Show InChI InChI=1S/C19H19N3O2/c20-14-5-4-12-2-1-3-13-16(12)17(14)19(24)22(18(13)23)15-10-21-8-6-11(15)7-9-21/h1-5,11,15H,6-10,20H2
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280507
PNG
(6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |wD:8.7,(4.27,-3.19,;5.81,-3.2,;6.51,-1.84,;8.05,-1.76,;8.86,-3.03,;10.43,-2.92,;11.1,-1.55,;11.27,-4.23,;12.8,-4.15,;13.62,-5.45,;15.16,-5.37,;15.86,-3.99,;15.02,-2.7,;13.48,-2.77,;13.88,-4.27,;14.88,-3.8,;10.54,-5.63,;11.41,-6.91,;9,-5.71,;8.31,-7.06,;6.77,-7.14,;5.93,-5.85,;6.65,-4.46,;8.17,-4.41,)|
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000453
PNG
(CHEMBL540055)
Show SMILES Cl.COc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000523
PNG
(CHEMBL544784)
Show SMILES Cl.O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wU:15.16,(5.24,-.81,;-3.74,.62,;-2.67,,;-2.67,-1.54,;-1.33,-2.33,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,)|
Show InChI InChI=1S/C19H22N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230549
PNG
(CHEMBL366617)
Show SMILES [H][C@]12CCCC[C@@]1([H])c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,1.0,6.7,THB:16:17:22.21:24.25,(11.06,-6.05,;10.27,-4.72,;11.81,-4.53,;12.41,-3.11,;11.49,-1.89,;9.95,-2.08,;9.36,-3.48,;8.59,-2.15,;7.89,-3.99,;6.56,-3.2,;5.23,-3.99,;3.88,-3.23,;5.23,-5.53,;6.58,-6.3,;6.56,-7.82,;5.23,-8.59,;7.89,-8.62,;7.91,-10.15,;9.22,-9.36,;9.24,-10.9,;9.25,-12.44,;8.1,-12.44,;8.1,-10.9,;6.59,-10.9,;6.58,-12.47,;7.92,-13.21,;7.91,-5.53,;9.39,-5.98,)|
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0.170n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




J Med Chem 35: 903-11 (1992)

More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167013
PNG
(4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-c...)
Show SMILES CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C)CC1
Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)14-7-5-6-8-15(14)19-17(16)21-11-9-20(3)10-12-21/h5-8H,4,9-12H2,1-3H3
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0.170n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50231569
PNG
(CILANSETRON | Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
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0.190n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL




J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000485
PNG
((S)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'...)
Show SMILES Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:18.20,(5.27,-4.79,;6.6,-5.56,;6.6,-7.11,;7.93,-7.88,;8.26,-9.38,;9.8,-9.54,;9.03,-10.87,;9.8,-12.21,;11.35,-12.21,;12.12,-10.87,;11.35,-9.52,;10.41,-8.14,;9.27,-7.11,;9.27,-5.55,;7.93,-4.79,;10.6,-4.77,;10.04,-3.34,;12.12,-5,;13.08,-3.79,;14.6,-4.1,;15.63,-2.95,;15.14,-1.5,;13.64,-1.18,;12.61,-2.34,;13.71,-3.05,;14.57,-2.32,)|
Show InChI InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




J Med Chem 35: 895-903 (1992)


BindingDB Entry DOI: 10.7270/Q2SJ1M77
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042718
PNG
(1-(3,4-Dihydro-5-thia-2a-aza-acenaphthylen-1-yl)-3...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCSc3cccc1c23
Show InChI InChI=1S/C17H17N3OS/c1-11-14(19-10-18-11)5-6-15(21)13-9-20-7-8-22-16-4-2-3-12(13)17(16)20/h2-4,9-10H,5-8H2,1H3,(H,18,19)
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0.190n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on alpha2-adrenergic receptor using [3H]- clonidine as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288590
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




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


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000450
PNG
(CHEMBL542669)
Show SMILES Cl.COc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C17H22N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,12,15H,5-11H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000471
PNG
(CHEMBL542900)
Show SMILES Cl.CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O |r,wU:12.11,(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,;-1.33,1.54,;-1.33,2.77,)|
Show InChI InChI=1S/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000457
PNG
(CHEMBL542904)
Show SMILES Cl.CCc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2 |(5.25,.07,;2.41,-3.7,;1.34,-3.08,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C18H24N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,14,17H,2,6-12H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167015
PNG
(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCOC(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3
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0.210n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042714
PNG
(9-(2-Methyl-imidazol-1-ylmethyl)-4,5,8,9-tetrahydr...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCn2c13
Show InChI InChI=1S/C19H19N3O/c1-12-20-8-10-21(12)11-14-5-6-16-17(19(14)23)15-4-2-3-13-7-9-22(16)18(13)15/h2-4,8,10,14H,5-7,9,11H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL




J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50368604
PNG
(CHEMBL1907770)
Show SMILES [H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
Show InChI InChI=1S/C15H18ClN3O2/c1-21-13-5-12(17)11(16)4-8(13)14(20)18-15-7-19-3-2-9(15)10(15)6-19/h4-5,9-10H,2-3,6-7,17H2,1H3,(H,18,20)/t9?,10?,15-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL




J Med Chem 35: 1486-9 (1992)


BindingDB Entry DOI: 10.7270/Q2CC11B3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083188
PNG
(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.05,;7.88,-8.3,;7.88,-6.75,;6.56,-5.96,;9.21,-5.98,;10.55,-6.75,;11.88,-5.96,;11.85,-4.43,;13.21,-6.72,;14.54,-5.94,;14.52,-7.49,;15.86,-6.71,;14.68,-5.26,;14.75,-4.17,;16.02,-5.55,;17.51,-5.93,;17.35,-7.1,;10.55,-8.3,;11.71,-9.32,;11.09,-10.73,;9.55,-10.59,;9.23,-9.09,)|
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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0.240n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167011
PNG
(4-(4-Methyl-piperazin-1-yl)-2,3-dihydro-1H-cyclope...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCc12
Show InChI InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042712
PNG
(10-(2-Methyl-imidazol-1-ylmethyl)-5,6,9,10-tetrahy...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on mu-opiate receptor using [3H]- naloxone as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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0.251n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
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0.251n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.251n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060257
PNG
(3,3-Dimethyl-2,3-dihydro-indole-1-carboxylic acid ...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)N1CC(C)(C)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)
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0.260n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083174
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042713
PNG
(3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
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0.280n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on glycine receptor using [3H]- strychnine as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083186
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |(6.12,-5.94,;7.44,-6.75,;8.76,-5.96,;10.11,-6.73,;11.43,-5.94,;11.43,-4.41,;12.77,-6.73,;14.09,-5.94,;14.07,-7.49,;15.41,-6.68,;14.23,-5.24,;14.29,-4.15,;15.57,-5.52,;17.05,-5.91,;16.89,-7.1,;10.11,-8.28,;11.27,-9.32,;10.63,-10.73,;9.09,-10.57,;8.76,-9.06,;7.44,-8.28,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50230540
PNG
(CHEMBL173873)
Show SMILES [H][C@]12CCC[C@]([H])(C1)c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,5.5,1.0,(7.89,-6.25,;7.49,-4.76,;8.97,-4.36,;9.49,-2.83,;8.41,-1.73,;6.93,-2.14,;6.53,-.65,;7.97,-3.29,;5.43,-2.47,;4.41,-1.31,;2.9,-1.64,;1.87,-.49,;2.41,-3.08,;3.43,-4.24,;2.94,-5.7,;3.97,-6.85,;1.43,-6,;-.11,-5.93,;-.11,-7.47,;-1.03,-7.16,;-2.56,-7,;-2.4,-5.86,;-.88,-6.04,;-.71,-4.52,;-2.25,-4.34,;-3.16,-5.58,;4.95,-3.94,;5.97,-5.08,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.300n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL




J Med Chem 35: 903-11 (1992)

More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004292
PNG
(2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-...)
Show SMILES CC(C)Oc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14|
Show InChI InChI=1S/C21H26N2O3/c1-13(2)25-20-12-18(17-6-4-5-7-19(17)22-20)21(24)26-16-10-14-8-9-15(11-16)23(14)3/h4-7,12-16H,8-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
0.310n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
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