BDBM50280497 (R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoquinoline-1,3-dione::CHEMBL161922

SMILES: O=C1N([C@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23

InChI Key: InChIKey=HNEIGAAGXACRLT-INIZCTEOSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50280497   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50280497 ((R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoq...) Show SMILES O=C1N([C@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23 |wD:3.2,(9.94,-6.84,;9.08,-5.56,;9.79,-4.16,;11.33,-4.09,;12.15,-5.37,;13.69,-5.3,;14.38,-3.93,;13.53,-2.64,;11.99,-2.71,;12.41,-4.2,;13.41,-3.73,;8.94,-2.87,;9.63,-1.49,;7.39,-2.96,;6.57,-1.7,;5.04,-1.78,;4.35,-3.15,;5.17,-4.41,;4.48,-5.79,;5.31,-7.08,;6.85,-7,;7.55,-5.65,;6.7,-4.34,)| Show InChI InChI=1S/C19H18N2O2/c22-18-14-5-1-3-13-4-2-6-15(17(13)14)19(23)21(18)16-11-20-9-7-12(16)8-10-20/h1-6,12,16H,7-11H2/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH)				Bioorg Med Chem Lett 2: 691-694 (1992) Article DOI: 10.1016/S0960-894X(00)80392-3 BindingDB Entry DOI: 10.7270/Q2B85814
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50280497 ((R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoq...) Show SMILES O=C1N([C@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23 |wD:3.2,(9.94,-6.84,;9.08,-5.56,;9.79,-4.16,;11.33,-4.09,;12.15,-5.37,;13.69,-5.3,;14.38,-3.93,;13.53,-2.64,;11.99,-2.71,;12.41,-4.2,;13.41,-3.73,;8.94,-2.87,;9.63,-1.49,;7.39,-2.96,;6.57,-1.7,;5.04,-1.78,;4.35,-3.15,;5.17,-4.41,;4.48,-5.79,;5.31,-7.08,;6.85,-7,;7.55,-5.65,;6.7,-4.34,)| Show InChI InChI=1S/C19H18N2O2/c22-18-14-5-1-3-13-4-2-6-15(17(13)14)19(23)21(18)16-11-20-9-7-12(16)8-10-20/h1-6,12,16H,7-11H2/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH)				Bioorg Med Chem Lett 2: 691-694 (1992) Article DOI: 10.1016/S0960-894X(00)80392-3 BindingDB Entry DOI: 10.7270/Q2B85814
					More data for this Ligand-Target Pair