Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.8 BDBM50417456

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 M3 (Homo sapiens (Human))	BDBM50417456 (CHEMBL1289201) Show SMILES OCc1ccc(o1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 Show InChI InChI=1S/C21H25ClN2O4/c22-17-3-1-16(2-4-17)13-23-9-7-21(8-10-23)15-24(11-12-27-21)20(26)19-6-5-18(14-25)28-19/h1-6,25H,7-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 7458-61 (2010) Article DOI: 10.1016/j.bmcl.2010.10.016 BindingDB Entry DOI: 10.7270/Q2GM88K4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50417456 (CHEMBL1289201) Show SMILES OCc1ccc(o1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 Show InChI InChI=1S/C21H25ClN2O4/c22-17-3-1-16(2-4-17)13-23-9-7-21(8-10-23)15-24(11-12-27-21)20(26)19-6-5-18(14-25)28-19/h1-6,25H,7-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay				Bioorg Med Chem Lett 20: 7458-61 (2010) Article DOI: 10.1016/j.bmcl.2010.10.016 BindingDB Entry DOI: 10.7270/Q2GM88K4
					More data for this Ligand-Target Pair