Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM280442

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

Found 2 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 M2 (Homo sapiens (Human))	BDBM280442 (US10030012, Example 72 | ethyl 4-[4-(6- ethoxypyri...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1 Show InChI InChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent									US Patent US10030012 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DTW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM280442 (US10030012, Example 72 | ethyl 4-[4-(6- ethoxypyri...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1 Show InChI InChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...				US Patent US10030012 (2018) BindingDB Entry DOI: 10.7270/Q2KK9DTW
					More data for this Ligand-Target Pair