Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50366368'   

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)	BDBM50366368 (CHEMBL1788271) Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2 |r,wU:13.13,(5.37,-10.09,;5.37,-8.55,;4.02,-7.78,;2.69,-8.55,;1.36,-7.78,;.02,-8.55,;1.36,-6.23,;.03,-5.47,;2.69,-5.46,;4.02,-6.23,;5.35,-5.44,;5.35,-3.9,;6.7,-6.21,;8.03,-5.44,;9.36,-6.21,;10.69,-5.44,;11.79,-6.52,;13.28,-6.09,;10.69,-3.9,;9.34,-3.13,;8.01,-3.9,;8.77,-5.23,;9.85,-4.14,)| Show InChI InChI=1S/C16H21Cl2N3O2/c1-23-15-7-13(19)12(18)6-11(15)16(22)20-14-8-21(9-17)4-2-10(14)3-5-21/h6-7,10,14H,2-5,8-9H2,1H3,(H2-,19,20,22)/p+1/t10?,14-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand				Bioorg Med Chem Lett 4: 945-948 (1994) Article DOI: 10.1016/S0960-894X(01)80269-9 BindingDB Entry DOI: 10.7270/Q20V8D8T
					More data for this Ligand-Target Pair