BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1937 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A'   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50363325
PNG
(CHEMBL1945843)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1
Show InChI InChI=1S/C23H26N4O2/c1-18-6-4-13-26(18)14-5-15-29-21-10-8-19(9-11-21)20-16-23(28)27(25-17-20)22-7-2-3-12-24-22/h2-3,7-12,16-18H,4-6,13-15H2,1H3/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334438
PNG
((R)-7-oxo-N-(quinuclidin-3-yl)-4,7-dihydrothieno[3...)
Show SMILES Oc1c(cnc2ccsc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.40n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as effect on serotonin-induced response


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334439
PNG
((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6.90n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as decrease in 10 uM 5-chloroindole-induced increase in intracell...


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334438
PNG
((R)-7-oxo-N-(quinuclidin-3-yl)-4,7-dihydrothieno[3...)
Show SMILES Oc1c(cnc2ccsc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 9.20n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as decrease in 10 uM 5-chloroindole-induced increase in intracell...


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334439
PNG
((R)-2-methyl-7-(quinuclidin-3-yl)-7,8-dihydropyraz...)
Show SMILES Cn1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23
Show InChI InChI=1S/C17H20N4O/c1-19-14-4-2-3-12-16(14)13(18-19)9-21(17(12)22)15-10-20-7-5-11(15)6-8-20/h2-4,9,11,15,18H,5-8,10H2,1H3/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 12.6n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as effect on serotonin-induced response


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334440
PNG
((R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5...)
Show SMILES O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,8,10,14,17-18H,4-7,9H2/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 14.5n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as effect on serotonin-induced response


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM36022
PNG
((+/-)-octopamine | Octopamine,(+/-))
Show SMILES [NH3+]CC(O)c1ccc(O)cc1
Show InChI InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 24n/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay


Nature 450: 553-556 (2007)


Article DOI: 10.1038/nature05991
BindingDB Entry DOI: 10.7270/Q2833SXW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 141n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as decrease in 10 uM 5-chloroindole-induced increase in intracell...


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as effect on serotonin-induced response


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014554
PNG
(CHEMBL3261485)
Show SMILES COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H22N4O2/c1-24-14-8-13-10-19-22-7-6-21(18(23)15(9-14)17(13)22)16-11-20-4-2-12(16)3-5-20/h8-10,12,16H,2-7,11H2,1H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014551
PNG
(CHEMBL3261482)
Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19FN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014556
PNG
(CHEMBL3261486 | US9045501, 25)
Show SMILES O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O2/c22-16-12-2-1-3-13-15(12)21(17(23)18-13)9-8-20(16)14-10-19-6-4-11(14)5-7-19/h1-3,11,14H,4-10H2,(H,18,23)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014554
PNG
(CHEMBL3261485)
Show SMILES COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H22N4O2/c1-24-14-8-13-10-19-22-7-6-21(18(23)15(9-14)17(13)22)16-11-20-4-2-12(16)3-5-20/h8-10,12,16H,2-7,11H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014551
PNG
(CHEMBL3261482)
Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19FN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014548
PNG
(CHEMBL3261479 | US9045501, 2)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014550
PNG
(CHEMBL3261481 | US9045501, 7)
Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103074
PNG
(1-Allyl-2-piperazin-1-yl-1H-benzoimidazole | CHEMB...)
Show SMILES C=CCn1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C14H18N4/c1-2-9-18-13-6-4-3-5-12(13)16-14(18)17-10-7-15-8-11-17/h2-6,15H,1,7-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00417-6
BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50443668
PNG
(CHEBI:5537 | CHEMBL1290003 | GRANISETRON)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12
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)/t12-,13+,14-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 320n/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Agonist activity at human wild type 5-HT3A receptor expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem 21: 7523-8 (2013)


Article DOI: 10.1016/j.bmc.2013.09.028
BindingDB Entry DOI: 10.7270/Q2JM2C3F
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50081970
PNG
(6-(4-Methyl-piperazin-1-yl)-pyrido[2,3-e]pyrrolo[1...)
Show SMILES CN1CCN(CC1)c1nc2ncccc2n2cccc12
Show InChI InChI=1S/C15H17N5/c1-18-8-10-19(11-9-18)15-13-5-3-7-20(13)12-4-2-6-16-14(12)17-15/h2-7H,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 340n/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Intrinsic activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency relative to serotonin


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 457n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells by FMP assay


J Med Chem 50: 4616-29 (2007)


Article DOI: 10.1021/jm070574f
BindingDB Entry DOI: 10.7270/Q2J67HRC
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Virtua Drug Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method


Bioorg Med Chem 17: 5796-805 (2009)


Article DOI: 10.1016/j.bmc.2009.07.022
BindingDB Entry DOI: 10.7270/Q2HH6M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50400902
PNG
(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT3A receptor expressed in xenopus oocytes by electrophysiological method


J Med Chem 54: 3206-21 (2011)


Article DOI: 10.1021/jm101459g
BindingDB Entry DOI: 10.7270/Q2W37XFC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50301927
PNG
(CHEMBL1748 | Norcisapride)
Show SMILES COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.016
BindingDB Entry DOI: 10.7270/Q2057GWF
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Virtua Drug Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method


Bioorg Med Chem 17: 5796-805 (2009)


Article DOI: 10.1016/j.bmc.2009.07.022
BindingDB Entry DOI: 10.7270/Q2HH6M1M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50301929
PNG
(4-amino-5-chloro-N-((3S,4R)-1-(((1S,2S)-2-hydroxy-...)
Show SMILES CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C28H38ClN3O5/c1-35-20-9-6-8-18(13-20)28(34)11-5-4-7-19(28)16-32-12-10-24(26(17-32)37-3)31-27(33)21-14-22(29)23(30)15-25(21)36-2/h6,8-9,13-15,19,24,26,34H,4-5,7,10-12,16-17,30H2,1-3H3,(H,31,33)/t19-,24+,26-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.016
BindingDB Entry DOI: 10.7270/Q2057GWF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Response at rat 5-hydroxytryptamine 3a receptor expressed in xenopus oocytes


Bioorg Med Chem Lett 14: 1849-53 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.104
BindingDB Entry DOI: 10.7270/Q2PK0GQW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.60E+4n/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay


Nature 450: 553-556 (2007)


Article DOI: 10.1038/nature05991
BindingDB Entry DOI: 10.7270/Q2833SXW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3 receptor by FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT3 receptor by FLIPR(Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0316n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3A receptor


Eur J Med Chem 45: 4746-60 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.039
BindingDB Entry DOI: 10.7270/Q2CV4K06
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.0500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50397290
PNG
(CHEMBL475331 | VUF-10147)
Show SMILES CN1CCN(CC1)c1nc(N)c2ccccc2n1
Show InChI InChI=1S/C13H17N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3,(H2,14,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0513n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine


J Med Chem 55: 8603-14 (2012)


Article DOI: 10.1021/jm300801u
BindingDB Entry DOI: 10.7270/Q2RF5W5T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.0520n/an/an/an/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 in rat CNS.


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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
0.0600 -58.3n/an/an/an/an/a7.525



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288283
PNG
(4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...)
Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
0.0750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]-DAIZAC 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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50214493
PNG
(CHEMBL145033 | RS-16456)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H23ClN4O/c1-11(2)23-10-20-17-14(7-13(19)8-16(17)23)18(24)21-15-9-22-5-3-12(15)4-6-22/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,24)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.138n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50214492
PNG
(CHEMBL145725 | RS-16566)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H23ClN4O/c1-11(2)23-10-20-17-14(7-13(19)8-16(17)23)18(24)21-15-9-22-5-3-12(15)4-6-22/h7-8,10-12,15H,3-6,9H2,1-2H3,(H,21,24)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.145n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307815
PNG
(4-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12
Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

0.182n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
0.200 -55.4n/an/an/an/an/a7.525



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM82473
PNG
(CAS_124006 | GR 65630 | NSC_124006)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C16H17N3O/c1-11-13(18-10-17-11)7-8-16(20)15-9-12-5-3-4-6-14(12)19(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Medical Research Council Centre

Curated by PDSP Ki Database




J Biol Chem 270: 6056-61 (1995)


Article DOI: 10.1016/j.bioorg.2014.12.001
BindingDB Entry DOI: 10.7270/Q2NV9GR6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50307826
PNG
(1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]n...)
Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)23-21-12-7-13-22(24(21)29(2)27-23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 2324-8 (2010)


Article DOI: 10.1021/jm901827x
BindingDB Entry DOI: 10.7270/Q2JQ11Z5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1937 total )  |  Next  |  Last  >>
Jump to: