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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 5103,5137   
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 3 (5-HT3) receptor


(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
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n/an/an/a 0.320n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis


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
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/a 0.530n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis


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
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50426730
PNG
(CHEMBL2322133)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C43H48N6O6/c1-47(2)29-9-13-33-38(23-29)55-39-24-30(48(3)4)10-14-34(39)41(33)32-12-8-27(22-36(32)43(53)54)42(52)46-20-7-5-6-19-45-40(51)17-21-49-26-28(16-18-44)35-25-31(50)11-15-37(35)49/h8-15,22-26H,5-7,16-21,44H2,1-4H3,(H3-,45,46,50,51,52,53,54)
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n/an/an/a 83n/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal-His6-tagged 5HT3A receptor (unknown origin) expressed in HEK293 cells after 2 hrs by fluorimetric analysis


Bioorg Med Chem Lett 23: 773-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.082
BindingDB Entry DOI: 10.7270/Q2JD4Z35
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair