Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.1 BDBM50401889

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

Found 3 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))	BDBM50401889 (CHEMBL2206607) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r| Show InChI InChI=1S/C33H39ClN4O5/c1-23(2)43-32(41)26-9-13-28(14-10-26)36-33(42)37-30(21-24-7-15-29(39)16-8-24)31(40)35-17-20-38(18-3-4-19-38)22-25-5-11-27(34)12-6-25/h5-16,23,30H,3-4,17-22H2,1-2H3,(H3-,35,36,37,39,40,41,42)/p+1/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FL...				Bioorg Med Chem Lett 22: 7087-91 (2012) Article DOI: 10.1016/j.bmcl.2012.09.085 BindingDB Entry DOI: 10.7270/Q2ZK5HT1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50401889 (CHEMBL2206607) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r| Show InChI InChI=1S/C33H39ClN4O5/c1-23(2)43-32(41)26-9-13-28(14-10-26)36-33(42)37-30(21-24-7-15-29(39)16-8-24)31(40)35-17-20-38(18-3-4-19-38)22-25-5-11-27(34)12-6-25/h5-16,23,30H,3-4,17-22H2,1-2H3,(H3-,35,36,37,39,40,41,42)/p+1/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FL...				Bioorg Med Chem Lett 22: 7087-91 (2012) Article DOI: 10.1016/j.bmcl.2012.09.085 BindingDB Entry DOI: 10.7270/Q2ZK5HT1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401889 (CHEMBL2206607) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r| Show InChI InChI=1S/C33H39ClN4O5/c1-23(2)43-32(41)26-9-13-28(14-10-26)36-33(42)37-30(21-24-7-15-29(39)16-8-24)31(40)35-17-20-38(18-3-4-19-38)22-25-5-11-27(34)12-6-25/h5-16,23,30H,3-4,17-22H2,1-2H3,(H3-,35,36,37,39,40,41,42)/p+1/t30-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	418	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FL...				Bioorg Med Chem Lett 22: 7087-91 (2012) Article DOI: 10.1016/j.bmcl.2012.09.085 BindingDB Entry DOI: 10.7270/Q2ZK5HT1
					More data for this Ligand-Target Pair