Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 317.4 BDBM50283789

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50283789 (5-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-10,11-dihydr...) Show SMILES OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)| Show InChI InChI=1S/C22H23NO/c24-22(21-15-23-13-11-18(21)12-14-23)19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,15,18,24H,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards muscarinic receptor in cerebral cortex (M1) was determined				Bioorg Med Chem Lett 4: 2837-2840 (1994) Article DOI: 10.1016/S0960-894X(01)80824-6 BindingDB Entry DOI: 10.7270/Q2CV4HPB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50283789 (5-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-10,11-dihydr...) Show SMILES OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)| Show InChI InChI=1S/C22H23NO/c24-22(21-15-23-13-11-18(21)12-14-23)19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,15,18,24H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards muscarinic receptor in heart (M2) was determined				Bioorg Med Chem Lett 4: 2837-2840 (1994) Article DOI: 10.1016/S0960-894X(01)80824-6 BindingDB Entry DOI: 10.7270/Q2CV4HPB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50283789 (5-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-10,11-dihydr...) Show SMILES OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)| Show InChI InChI=1S/C22H23NO/c24-22(21-15-23-13-11-18(21)12-14-23)19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,15,18,24H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards muscarinic receptor in parotid gland (M3)				Bioorg Med Chem Lett 4: 2837-2840 (1994) Article DOI: 10.1016/S0960-894X(01)80824-6 BindingDB Entry DOI: 10.7270/Q2CV4HPB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50283789 (5-(1-Aza-bicyclo[2.2.2]oct-2-en-3-yl)-10,11-dihydr...) Show SMILES OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)| Show InChI InChI=1S/C22H23NO/c24-22(21-15-23-13-11-18(21)12-14-23)19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,15,18,24H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards muscarinic receptor in urinary bladder was determined				Bioorg Med Chem Lett 4: 2837-2840 (1994) Article DOI: 10.1016/S0960-894X(01)80824-6 BindingDB Entry DOI: 10.7270/Q2CV4HPB
					More data for this Ligand-Target Pair