BDBM50056396 4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester::CHEMBL288199

SMILES: COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=HBNLYLTXNASDDE-CQSZACIVSA-N

Data: 4 KI  2 IC50  2 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 8 hits for monomerid = 50056396   

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)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	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 3: 1555-1558 (1993) Article DOI: 10.1016/S0960-894X(00)80017-7 BindingDB Entry DOI: 10.7270/Q2J38SHW
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
HTR4 (RAT)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand				J Med Chem 40: 608-21 (1997) Article DOI: 10.1021/jm960320m BindingDB Entry DOI: 10.7270/Q2T72J36
					More data for this Ligand-Target Pair
HTR4 (RAT)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity, concentration which gave 50% increase in the response to electrically-stimulated myenteric plexus an...				J Med Chem 40: 608-21 (1997) Article DOI: 10.1021/jm960320m BindingDB Entry DOI: 10.7270/Q2T72J36
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guine...				Bioorg Med Chem Lett 4: 1433-1436 (1994) Article DOI: 10.1016/S0960-894X(01)80508-4 BindingDB Entry DOI: 10.7270/Q2G160RF
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50056396 (4-Amino-5-chloro-2-methoxy-benzoic acid (S)-(1-aza...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)| Show InChI InChI=1S/C15H19ClN2O3/c1-20-13-7-12(17)11(16)6-10(13)15(19)21-14-8-18-4-2-9(14)3-5-18/h6-7,9,14H,2-5,8,17H2,1H3/t14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description 5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum				J Med Chem 40: 608-21 (1997) Article DOI: 10.1021/jm960320m BindingDB Entry DOI: 10.7270/Q2T72J36
					More data for this Ligand-Target Pair