Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50417287'   

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/3B (Rattus norvegicus-RAT)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine				J Med Chem 36: 2645-57 (1993) Checked by Author BindingDB Entry DOI: 10.7270/Q2GM88T8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (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 MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Antagonist activity at human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced response after 45 mins...				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/3B (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 MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.180	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/5-HT3B 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)