BDBM50288584 (S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carbonyl)-amino]-1-butyl-1-azonia-bicyclo[2.2.2]octane; bromide::CHEMBL423504

SMILES: CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12

InChI Key: InChIKey=GBIBVYNJUGUIOO-ITRQQJLISA-O

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50288584   

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
HTR4 (RAT)	BDBM50288584 ((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...) Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wU:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)| Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90	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 4 receptor in rat striatum by [3H]GR-113808 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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50288584 ((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...) Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wU:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)| Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	73	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
Serotonin (5-HT) receptor (RAT)	BDBM50288584 ((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...) Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wU:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)| Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	8.5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.				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