Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50288589'   

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)	BDBM50288589 (4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...) Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@H]1CN2CCC1CC2 |wD:14.15,(8.96,-10.53,;9.01,-8.99,;10.36,-8.28,;11.81,-8.8,;12.77,-7.61,;11.91,-6.31,;10.42,-6.74,;9.12,-5.92,;7.77,-6.61,;7.71,-8.19,;6.36,-8.93,;9.19,-4.37,;7.89,-3.56,;10.55,-3.66,;10.6,-2.11,;11.98,-1.42,;12.05,.13,;10.76,-.78,;10.12,-.14,;9.3,-1.31,;9.37,.24,;10.74,.95,)| Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.				Bioorg Med Chem Lett 6: 263-266 (1996) Article DOI: 10.1016/0960-894X(96)00002-9 BindingDB Entry DOI: 10.7270/Q2MC90JK
					More data for this Ligand-Target Pair