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Compile Data Set for Download or QSAR

Found 127 hits Enz. Inhib. hit(s) with Target = 'Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) 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)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053631
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline | 2-(4-methy...)
Show SMILES CN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50122876
PNG
(4-Amino-5-chloro-2-methoxy-N-(1-methylamino-cyclop...)
Show SMILES CNC1(CNC(=O)c2cc(Cl)c(N)cc2OC)CCCC1
Show InChI InChI=1S/C15H22ClN3O2/c1-18-15(5-3-4-6-15)9-19-14(20)10-7-11(16)12(17)8-13(10)21-2/h7-8,18H,3-6,9,17H2,1-2H3,(H,19,20)
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9n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for 5-hydroxytryptamine 3 receptor anatagonist activity


J Med Chem 46: 319-44 (2003)


BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053617
PNG
(2-naphthyl biguanide | CHEMBL43078 | N-2-naphthyli...)
Show SMILES NC(=N)N=C(N)Nc1ccc2ccccc2c1 |w:3.2|
Show InChI InChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17)
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50027021
PNG
(1-(6-Chloro-pyridin-2-yl)-piperazine | CHEMBL45773)
Show SMILES Clc1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C9H12ClN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053604
PNG
(CHEMBL40567 | N-2-naphthylguanidine | N-Naphthalen...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc2ccccc2c1
Show InChI InChI=1S/C11H11N3/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H4,12,13,14)
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25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50007411
PNG
(1-Naphthalen-2-yl-piperazine | CHEMBL278509)
Show SMILES C1CN(CCN1)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H16N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-6,11,15H,7-10H2
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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33n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Binding affinity of compound towards 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 (1 nM) ligand in NG cells 108-15 was determined


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053608
PNG
(1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
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35n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053611
PNG
(1-(6-Chloro-pyridin-2-yl)-4-methyl-piperazine | CH...)
Show SMILES CN1CCN(CC1)c1cccc(Cl)n1
Show InChI InChI=1S/C10H14ClN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
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38n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50022718
PNG
(1-(5-Chloro-2-methoxy-phenyl)-piperazine | CHEMBL6...)
Show SMILES COc1ccc(Cl)cc1N1CCNCC1
Show InChI InChI=1S/C11H15ClN2O/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
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40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053622
PNG
(CHEMBL43798 | N-[2-(3-Chloro-phenyl)-ethyl]-guanid...)
Show SMILES NC(=N)NCCc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN3/c10-8-3-1-2-7(6-8)4-5-13-9(11)12/h1-3,6H,4-5H2,(H4,11,12,13)
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40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053606
PNG
(1-(6-Iodo-pyridin-2-yl)-4-methyl-piperazine | CHEM...)
Show SMILES CN1CCN(CC1)c1cccc(I)n1
Show InChI InChI=1S/C10H14IN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
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48n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50173952
PNG
(Benzo[b]thiophene-2-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cc2ccccc2s1 |THB:2:3:9.10:7.6,(2.61,.02,;2.05,-1.43,;.52,-1.65,;-.44,-.43,;-.73,.98,;-2.08,1.59,;-2.02,3.23,;-1.56,2.11,;-1.82,.21,;-3.37,-.45,;-3.58,.93,;3.01,-2.63,;2.59,-4.13,;3.87,-4.99,;4.09,-6.52,;5.52,-7.09,;6.74,-6.13,;6.52,-4.6,;5.09,-4.03,;4.55,-2.58,)|
Show InChI InChI=1S/C16H18N2OS/c19-16(15-9-12-3-1-2-4-14(12)20-15)17-13-10-18-7-5-11(13)6-8-18/h1-4,9,11,13H,5-8,10H2,(H,17,19)
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49.8n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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62n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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62n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50173944
PNG
(5'-phenyl-(2'R)-spiro[4-azabicyclo[2.2.2]octane-2,...)
Show SMILES C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccccc1 |wD:8.8,TLB:7:8:14.15:12.11,THB:0:8:14.15:12.11,(2.37,-1.18,;2.91,-2.63,;4.33,-3.19,;4.54,-4.71,;3.34,-5.67,;1.92,-5.1,;1.69,-3.58,;.41,-2.72,;.83,-1.24,;.55,.16,;-.81,.77,;-2.28,.12,;-2.08,-1.26,;-.54,-.59,;-.28,1.3,;-.74,2.41,;5.99,-5.27,;7.18,-4.31,;8.61,-4.87,;8.85,-6.41,;7.63,-7.37,;6.2,-6.8,)|
Show InChI InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1
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73n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053613
PNG
(2-Methoxy-5-Chloro-Phenyl biguanide | CHEMBL335877)
Show SMILES COc1ccc(Cl)cc1NC(N)=NC(N)=N |w:12.13|
Show InChI InChI=1S/C9H12ClN5O/c1-16-7-3-2-5(10)4-6(7)14-9(13)15-8(11)12/h2-4H,1H3,(H6,11,12,13,14,15)
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126n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053594
PNG
(CHEMBL131053 | N-[2-(2-Chloro-phenyl)-ethyl]-guani...)
Show SMILES NC(=N)NCCc1ccccc1Cl
Show InChI InChI=1S/C9H12ClN3/c10-8-4-2-1-3-7(8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
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150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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152n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity


J Med Chem 46: 319-44 (2003)


BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 |wU:3.2,(28.02,-3.67,;28.02,-5.21,;29.36,-5.97,;30.69,-5.19,;30.68,-3.66,;32.02,-2.89,;33.36,-3.65,;33.36,-5.2,;32.03,-5.97,;31.15,-4.82,;31.97,-4.02,;26.69,-5.98,;26.7,-7.54,;25.35,-8.31,;24.02,-7.54,;22.56,-8.01,;21.65,-6.76,;22.56,-5.52,;24.03,-6,;25.35,-5.22,)|
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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174n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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175n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 |wU:3.2,(28.02,-3.67,;28.02,-5.21,;29.36,-5.97,;30.69,-5.19,;30.68,-3.66,;32.02,-2.89,;33.36,-3.65,;33.36,-5.2,;32.03,-5.97,;31.15,-4.82,;31.97,-4.02,;26.69,-5.98,;26.7,-7.54,;25.35,-8.31,;24.02,-7.54,;22.56,-8.01,;21.65,-6.76,;22.56,-5.52,;24.03,-6,;25.35,-5.22,)|
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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188n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053633
PNG
(1N-amino(immino)methyl-2-chloroaniline | CHEMBL418...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccccc1Cl
Show InChI InChI=1S/C7H8ClN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,(H4,9,10,11)
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190n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053592
PNG
(3-Nitro-Phenyl biguanide | CHEMBL42538 | N-(3-nitr...)
Show SMILES NC(=N)[N-]\C(N)=[NH+]/c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H9N6O2/c9-7(10)13-8(11)12-5-2-1-3-6(4-5)14(15)16/h1-4H,(H5-,9,10,11,12,13)/q-1/p+1
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220n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053619
PNG
(3-Chloro-4-Methyl-Phenyl biguanide | CHEMBL40190 |...)
Show SMILES Cc1ccc(NC(N)=NC(N)=N)cc1Cl |w:8.8|
Show InChI InChI=1S/C9H12ClN5/c1-5-2-3-6(4-7(5)10)14-9(13)15-8(11)12/h2-4H,1H3,(H6,11,12,13,14,15)
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225n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053624
PNG
(CHEMBL129150 | N-[2-(4-Chloro-phenyl)-ethyl]-guani...)
Show SMILES NC(=N)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN3/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
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243n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190783
PNG
(CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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310n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053590
PNG
(1N-amino(immino)methyl-4-chloroaniline | CHEMBL410...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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320n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50173949
PNG
(5-Phenyl-thiophene-3-carboxylic acid (1-aza-bicycl...)
Show SMILES O=C(NC1CN2CCC1CC2)c1csc(c1)-c1ccccc1 |TLB:2:3:9.10:7.6,(13.39,-.1,;12.83,-1.54,;11.29,-1.76,;10.35,-.54,;10.06,.85,;8.72,1.46,;7.24,.81,;7.45,-.57,;8.99,.09,;9.23,1.98,;8.78,3.09,;13.78,-2.74,;15.32,-2.68,;15.86,-4.13,;14.64,-5.08,;13.36,-4.23,;14.7,-6.62,;16.05,-7.33,;16.12,-8.86,;14.82,-9.69,;13.45,-8.96,;13.39,-7.42,)|
Show InChI InChI=1S/C18H20N2OS/c21-18(19-16-11-20-8-6-13(16)7-9-20)15-10-17(22-12-15)14-4-2-1-3-5-14/h1-5,10,12-13,16H,6-9,11H2,(H,19,21)
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409n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50122878
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCC12CCCN1CCC2
Show InChI InChI=1S/C18H24ClN3O2/c19-14-11-13(16-12(15(14)20)3-10-24-16)17(23)21-7-6-18-4-1-8-22(18)9-2-5-18/h11H,1-10,20H2,(H,21,23)
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420n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for selectivity against 5-hydroxytryptamine 3 receptor binding affinity


J Med Chem 46: 319-44 (2003)


BindingDB Entry DOI: 10.7270/Q2T72J6J
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190786
PNG
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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511n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053628
PNG
(1-Methyl-4-(6-methyl-pyridin-2-yl)-piperazine | CH...)
Show SMILES CN1CCN(CC1)c1cccc(C)n1
Show InChI InChI=1S/C11H17N3/c1-10-4-3-5-11(12-10)14-8-6-13(2)7-9-14/h3-5H,6-9H2,1-2H3
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560n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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580n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190786
PNG
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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628n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053634
PNG
(1-(4-Methoxy-2-methyl-phenyl)-piperazine | CHEMBL1...)
Show SMILES COc1ccc(N2CCNCC2)c(C)c1
Show InChI InChI=1S/C12H18N2O/c1-10-9-11(15-2)3-4-12(10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
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660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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663n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50173954
PNG
(2-Phenyl-thiazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1csc(n1)-c1ccccc1 |TLB:2:3:9.10:7.6,(13.39,-.1,;12.83,-1.54,;11.29,-1.76,;10.35,-.54,;10.06,.85,;8.72,1.46,;7.24,.81,;7.45,-.57,;8.99,.09,;9.23,1.98,;8.78,3.09,;13.78,-2.74,;15.32,-2.68,;15.86,-4.13,;14.64,-5.08,;13.36,-4.23,;14.7,-6.62,;16.05,-7.33,;16.12,-8.86,;14.82,-9.69,;13.45,-8.96,;13.39,-7.42,)|
Show InChI InChI=1S/C17H19N3OS/c21-16(18-14-10-20-8-6-12(14)7-9-20)15-11-22-17(19-15)13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,18,21)
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665n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053609
PNG
(2-Methyl-Phenyl biguanide | CHEMBL289319 | N-(3-me...)
Show SMILES Cc1cccc(NC(N)=NC(N)=N)c1 |w:9.9|
Show InChI InChI=1S/C9H13N5/c1-6-3-2-4-7(5-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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780n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50190783
PNG
(CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)|
Show InChI InChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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962n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay


J Med Chem 49: 4425-36 (2006)


Article DOI: 10.1021/jm0602413
BindingDB Entry DOI: 10.7270/Q25B023S
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50173945
PNG
(CHEMBL195190 | [2,2']Bithiophenyl-5-carboxylic aci...)
Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(s1)-c1cccs1 |THB:2:3:9.10:7.6,(5.22,-2.93,;4.66,-4.37,;3.13,-4.59,;2.18,-3.38,;1.89,-1.97,;.55,-1.36,;.61,.27,;1.06,-.84,;.8,-2.74,;-.74,-3.4,;-.94,-2.02,;5.62,-5.57,;5.2,-7.07,;6.49,-7.93,;7.69,-6.97,;7.16,-5.52,;9.18,-7.39,;9.64,-8.87,;11.18,-8.87,;11.66,-7.41,;10.43,-6.49,)|
Show InChI InChI=1S/C16H18N2OS2/c19-16(17-12-10-18-7-5-11(12)6-8-18)15-4-3-14(21-15)13-2-1-9-20-13/h1-4,9,11-12H,5-8,10H2,(H,17,19)
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1.04E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630


Bioorg Med Chem Lett 15: 4727-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.070
BindingDB Entry DOI: 10.7270/Q28K79W0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053626
PNG
((1Z)-2-(3-chlorophenyl)ethanimidamide | 2-(3-Chlor...)
Show SMILES NC(=N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C8H9ClN2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6|
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053632
PNG
(CHEMBL131570 | N-(3-Chloro-benzyl)-guanidine)
Show SMILES NC(=N)NCc1cccc(Cl)c1
Show InChI InChI=1S/C8H10ClN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053607
PNG
(CHEMBL40459 | N-[(E)-amino(imino)methyl]-N'-(3-chl...)
Show SMILES NC(=N)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C8H9ClN4O/c9-5-2-1-3-6(4-5)12-8(14)13-7(10)11/h1-4H,(H5,10,11,12,13,14)
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1.25E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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1.39E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053616
PNG
(4-(3-Chloro-phenyl)-1,1-dimethyl-piperazin-1-ium |...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H18ClN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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1.45E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
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