Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 5103,5137   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50417287 (Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...) Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2 |wU:4.14,wD:14.16,(.24,-11.26,;.24,-12.8,;1.58,-13.56,;1.58,-15.1,;.24,-15.88,;.24,-17.42,;-1.09,-18.19,;-2.42,-17.42,;-2.42,-15.88,;-3.77,-15.1,;-3.77,-13.56,;-2.43,-12.78,;-1.09,-13.56,;-1.09,-15.1,;2.91,-12.8,;2.91,-11.26,;4.25,-10.49,;5.58,-11.26,;5.58,-12.8,;4.25,-13.56,;4.79,-12.41,;3.77,-11.79,)| 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 antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50443668 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50426730 (CHEMBL2322133) Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C |(34.43,-4.19,;33.09,-3.43,;33.08,-1.89,;31.76,-4.21,;30.41,-3.47,;29.09,-4.27,;29.11,-5.81,;27.78,-6.61,;26.43,-5.86,;26.42,-4.32,;25.07,-3.58,;23.76,-4.37,;23.78,-5.92,;25.12,-6.66,;25.15,-8.2,;23.84,-8.99,;25.91,-9.52,;22.41,-3.63,;22.38,-2.09,;21.09,-4.42,;19.74,-3.68,;18.42,-4.48,;17.07,-3.73,;15.76,-4.53,;14.41,-3.78,;13.09,-4.58,;11.74,-3.83,;11.71,-2.29,;10.42,-4.63,;9.07,-3.88,;7.75,-4.68,;6.49,-3.8,;5.27,-4.73,;3.79,-4.3,;3.43,-2.8,;1.95,-2.37,;5.79,-6.18,;5.05,-7.53,;5.85,-8.84,;5.12,-10.19,;7.39,-8.8,;8.12,-7.45,;7.32,-6.15,;27.82,-8.15,;26.49,-8.95,;26.53,-10.49,;27.89,-11.24,;29.21,-10.45,;29.18,-8.89,;30.5,-8.1,;30.47,-6.57,;31.78,-5.76,;27.93,-12.78,;26.62,-13.59,;29.29,-13.51,)| 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a	n/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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/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
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM85099 (CAS_141474-54-6 | SDZ SER 082 FUMARATE | SDZ SER-0...) Show SMILES CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r| Show InChI InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor in rat cortex preparations using [3H]ketanserin				J Med Chem 38: 28-33 (1995) Article DOI: 10.1021/jm00001a007 BindingDB Entry DOI: 10.7270/Q2C2505V
					More data for this Ligand-Target Pair