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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3B'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013044
PNG
(1-Benzylguanidine | CHEMBL288640 | N-Benzyl-guanid...)
Show SMILES NC(=N)NCc1ccccc1
Show InChI InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013046
PNG
(1-(Thiophen-2-ylmethyl)guanidine | CHEMBL93064 | N...)
Show SMILES NC(=N)NCc1cccs1
Show InChI InChI=1S/C6H9N3S/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013045
PNG
(3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...)
Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013040
PNG
(CHEMBL93244 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...)
Show SMILES CN(Cc1nc(cs1)-c1c[nH]c2ccccc12)C(N)=N
Show InChI InChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013043
PNG
(3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
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10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013038
PNG
(1-(Pyridin-3-ylmethyl)guanidine | CHEMBL93964 | N-...)
Show SMILES NC(=N)NCc1ccccn1
Show InChI InChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50013042
PNG
(CHEMBL92180 | N-(4-Methyl-thiazol-2-ylmethyl)-guan...)
Show SMILES Cc1csc(CNC(N)=N)n1
Show InChI InChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
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116n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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3.16E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in NG cells 108-15


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
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50056947
PNG
(CHEMBL354210 | N-{2-[4-(1,2,3,4-Tetrahydro-naphtha...)
Show SMILES O=C(NCCN1CCN(CC1)C1CCCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c27-23(20-8-2-1-3-9-20)24-13-14-25-15-17-26(18-16-25)22-12-6-10-19-7-4-5-11-21(19)22/h1-5,7-9,11,22H,6,10,12-18H2,(H,24,27)
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3.47E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in NG cells 108-15


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
5-hydroxytryptamine receptor 3B


(Mus musculus)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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3.47E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in NG cells 108-15


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