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Compile Data Set for Download or QSAR

Found 30 hits of ec50 data for polymerid = 5103,5137   
Target
(Institution)
LigandTarget
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 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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...


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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-
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
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)
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400902
PNG
(CHEMBL2204360)
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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)
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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


Citation and Details
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(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
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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


Citation and Details
More data for this
Ligand-Target Pair